L-Alanine(Cas No 56-41-7) Animal Free, USP, JP, Moligand™, Ph.Eur., for cell culture, ≥98.5% high purity and research grade

Name: L-Alanine - Animal Free, USP, JP, Moligand™, Ph.Eur., for cell culture, ≥98.5% , sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4, CAS No.56-41-7, sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4
Brand: Aladdin Scientific
SKU: A118860
Availability: InStock

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Animal Free, USP, JP, Moligand™, Ph.Eur., for cell culture, ≥98.5% Animal Free,JP,Moligand™,Ph.Eur.,USP,세포 배양용 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Room temperature,Desiccated Normal 출고. 정확한 사양은 로트별 COA를 확인하세요.

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크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 465편에서 인용되었습니다.

개요

L-Alanine is a nonessential amino acid that plays a key role in the glucose-alanine cycle between muscle tissue and the liver. In amino acid-degrading tissues such as muscle, amino groups are pooled as glutamate by transamination reactions. The amino group of glutamate is transferred to pyruvate via alanine aminotransferase, forming alanine and α-ketoglutarate. The alanine is passed into the blood and transported to the liver. This reaction is reversed in the liver where pyruvate can be used in gluconeogenesis to form glucose, which may return to other tissues through the circulatory system.
A nonessential amino acid that plays a key role in the glucose-alanine cycle

사양

동의어

사양 및 순도

Animal Free, USP, JP, Moligand™, Ph.Eur., for cell culture, ≥98.5%

보관 조건

Room temperature,Desiccated

배송

Normal

등급

Animal Free, JP, Moligand™, Ph.Eur., USP, 세포 배양용

작동 메커니즘

sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4

순수함

≥98.5%

이름과 식별자

Pubchem Sid

488179969

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179969

정식 스마일

CC(C(=O)O)N

IUPAC Name

(2S)-2-aminopropanoic acid

InChIKey

QNAYBMKLOCPYGJ-REOHCLBHSA-N

INCHI

1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

이성체 SMILES

C[C@@H](C(=O)O)N

WGK 독일

RTECS

AY2990000

대체 CAS

56-41-7,18875-37-1,25191-17-7,77160-91-9,25191-17-7

MeSH 용어

Abuf\u00e8ne;Alanine;Alanine, L Isomer;Alanine, L-Isomer;L Alanine;L-Alanine;L-Isomer Alanine

분자량

89.09

Beilstein

1720248

Reaxy-Rn

635807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635807&ln=

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 분류 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alanine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
분류	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alanine and derivatives
Alternative Parents	L-alpha-amino acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alanine or derivatives - Alpha-amino acid - L-alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organopnictogen compound - Organic oxide - Aliphatic acyclic compound
설명	This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Common amino acids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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리뷰

Application Protocols

No vendor-tested biological assay protocols are provided for this item. Typical laboratory uses include:

Preparing cell-culture media/additive solutions: dissolve in sterile water to the desired concentration, adjust pH as required, and sterile-filter (0.22 µm).
Peptide synthesis feedstock: use corresponding protected derivatives (e.g., Fmoc-Ala-OH) following standard SPPS protocols.

For application-specific, validated protocols, consult primary literature and your internal SOPs.

Biological Roles

Background provided for context; not product specifications.

Core function (biochemistry)
- L-Alanine is one of the 20 canonical proteinogenic amino acids; encoded by multiple GC-rich codons. Incorporated into proteins by alanine tRNA synthetase.
Metabolic pathways (literature)
- Central to the glucose–alanine cycle: transamination in muscle shuttles nitrogen to the liver for urea formation while generating gluconeogenic substrates.
- Precursor/intermediate in amino acid metabolism via alanine transaminase (ALT/GPT); interconverts with pyruvate.
Physicochemical role in proteins
- Small, hydrophobic side chain (methyl) influences α-helix propensity and packing; often used in alanine-scanning mutagenesis to probe side-chain contributions.
Transport and uptake
- Taken up by amino acid transporters (e.g., system A/ASC families; literature). Intracellular levels influence nitrogen and energy metabolism.
Cell culture relevance
- Included among nonessential amino acids (NEAA) in many media; supports growth and protein synthesis. Concentrations are tuned to cell line requirements; excessive levels can perturb amino acid homeostasis.

This product is intended strictly for research and laboratory use; no medical or clinical claims are made.

Buffer Applications

L-Alanine is not a primary buffering reagent. Its pKa values (~2.34 and ~9.69; pI ~6.00, literature) place its maximal buffering capacity near acidic/basic regions with limited utility around neutral pH compared to dedicated buffers.

Practical guidance
- For neutral pH systems (pH 6.5–8.0), use established buffers (HEPES, MOPS, phosphate, Tris). Alanine may be present as a media component but should not be relied on for buffering.
- If used as a minor buffer additive, prepare solutions in water and adjust pH with HCl/NaOH; expect low buffer capacity and potential precipitation near the pI at high ionic strength.
Alternative buffer systems (literature)
- pH 6.0–7.5: phosphate, PIPES, MOPS.
- pH 7.2–8.2: HEPES, Tris.

For robust buffering needs, select a dedicated Good’s buffer rather than L-alanine.

Green Alternatives

As a bio-based, fermentatively produced commodity amino acid, L-alanine already aligns well with green chemistry principles compared to petrochemical-derived chiral synthons.

Sustainability considerations (general)
- Feedstocks: commonly manufactured via microbial fermentation from renewable sugars; low E-factor processes have been reported (literature).
- Benign solvent: water is the primary solvent for dissolution and processing.
Greener choices within the alanine family
- Use of aqueous media and buffered systems instead of polar aprotic solvents whenever feasible (e.g., enzymatic ligations, water-compatible coupling reagents).
- Opt for protected derivatives only when necessary; avoid chlorinated solvents in downstream steps.
Comparison (literature)
- Chiral pool from L-alanine vs. asymmetric catalysis using metal complexes: chiral-pool routes reduce reliance on scarce metals but can increase step count; optimal choice is case-dependent.
- L-Alanine vs. DL-alanine with resolution: starting from enantiopure L-alanine eliminates waste from resolutions and reduces solvent use.
Process tips
- Implement crystallization-driven purifications in water/ethanol blends.
- For peptide manufacturing, consider green coupling agents (e.g., Oxyma/ethyl cyano(hydroxyimino)acetate) and minimize DMF/NMP usage by adopting water-soluble protecting groups or microflow technologies.

Where regulatory grades are required (USP/JP/Ph.Eur.), select the compendial grade already offered in this listing to avoid requalification.

Pharmaceutical Uses

Contextual information for formulation and manufacturing; no therapeutic claims.

Role as a compendial raw material
- The presence of USP/JP/Ph.Eur. grades indicates compliance pathways for use as an excipient or processing aid in regulated environments, subject to suitability assessments.
Common formulation functions (literature)
- Stabilizer/tonicity contributor in parenteral or lyophilized products, where amino acids can modulate pH microenvironments and glass transition behavior.
- Nutrient component in cell-culture media for biomanufacturing of biologics.
Advantages
- Simple, well-characterized molecule with robust analytical monographs across pharmacopeias.
- Animal Free option supports avoidance of animal-derived components.
Considerations
- Control of bioburden, endotoxin, and particulates is critical for parenteral-grade solutions; verify with CoA/Spec Sheet.
- Optical purity (L-enantiomer content) and related substances should meet monograph limits for intended use.

Exact excipient specifications, grades, and acceptance criteria for this item: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific specs are not provided beyond storage; see CoA/Spec Sheet for lot-level details. Below are literature values for L-alanine to assist with planning.

Phase/appearance: crystalline solid (literature)
Melting point: 297–300 °C (dec.) (literature)
Density: ~1.42 g/cm³ (20 °C, literature)
Acid–base properties (literature)
- pKa1 (–CO2H): ~2.34
- pKa2 (–NH3+): ~9.69
- Isoelectric point (pI): ~6.00
Solubility/miscibility (literature)
- Water: highly soluble; forms clear solutions at typical cell-culture/media concentrations
- Ethanol: low solubility; insoluble in nonpolar solvents (e.g., ether, hexane)
Partitioning (literature)
- LogP (octanol/water): negative; prefers aqueous phase due to zwitterionic character
Optical rotation (literature)
- [α]D 20 ≈ +14 to +15° (conditions vary; method-dependent)

Notes

Values above are typical literature ranges for neat L-alanine and are provided for reference only. They are not item-specific specifications. Not specified for this item; refer to CoA/Spec Sheet where exact acceptance criteria (e.g., assay, optical rotation range, heavy metals, loss on drying) are defined.

Quality and Grades

This listing is supplied in multiple high-end grades suitable for research and regulated workflows. Item-specific acceptance criteria are defined on the CoA/Spec Sheet. Below explains what each grade typically signifies.

Animal Free
- Manufactured without animal-derived raw materials or processing aids to minimize adventitious agent risk. Useful for chemically defined media and biologics manufacturing strategies targeting animal-component–free processes.
USP / JP / Ph.Eur.
- Meets monograph requirements of the respective pharmacopeias (United States, Japanese, and European). Typical controls include identity (e.g., IR, optical rotation), assay, related substances, heavy metals, loss on drying, pH/acidity/alkalinity, and microbiological quality. Enables use as a compendial raw material in GMP environments where appropriate.
Moligand™
- Aladdin’s premium line emphasizing tightened impurity control and lot-to-lot consistency for demanding applications (e.g., cell-culture media, peptide synthesis). See product literature for program-specific attributes.
For Cell culture
- Produced and packaged with attention to bioburden and endotoxin control suitable for media preparation. When sterility is required, prepare solutions using sterile technique and final 0.22 µm filtration or autoclave as compatible.

Notes

Where exact numeric limits (e.g., metals, endotoxin, bioburden, optical rotation range) are needed: Not specified for this item; refer to CoA/Spec Sheet.
No stabilizers are indicated in the Product Data.

Reaction and Applications

L-Alanine serves as both a biochemical nutrient and a chiral building block.

Biochemical/cell culture
- Component of basal and custom media; supports cellular metabolism and protein biosynthesis. Suitable for chemically defined or ACF media strategies. Combine with other essential/nonessential amino acids per media design.
Peptide synthesis (general)
- Starting material for Fmoc-Ala-OH or Boc-Ala-OH used in SPPS. Alanine’s steric profile affords efficient couplings with standard reagents (HBTU/HOBt, HATU, DIC/Oxyma).
- Formation of alanine N-carboxyanhydride (Ala-NCA) for ring-opening polymerization to polypeptides (literature).
Chiral pool/auxiliary chemistry (literature)
- Alanine-derived Schiff bases/oxazolidinones employed as chiral auxiliaries/ligands in asymmetric syntheses and resolutions.
- Esterification/amidation of alanine to give chiral building blocks for APIs and intermediates.
Derivatization
- Protection strategies: N-protection (Boc, Fmoc, Cbz), C-protection (methyl/benzyl esters). Side chain lacks functional groups, simplifying orthogonal schemes.
Practical tips
- For solution-phase couplings of free alanine, adjust pH to maintain the amine in nucleophilic form (pH 8–9) while minimizing racemization.
- Ensure dryness and oxygen control when preparing acid chlorides/NCAs (moisture-sensitive).

All applications are for research and laboratory use only.

Reaction Conditions

General guidance based on literature; adjust to your system and consult primary references.

Peptide coupling (solution phase)
- Solvent: water/DMF mixtures or pure DMF for protected derivatives.
- Base: DIPEA or NMM (2–4 equiv); temperature 0–25 °C.
- Reagents: HATU or HBTU (1.0–1.2 equiv) with Oxyma; reaction times 0.5–2 h; typical yields high with minimal epimerization.
SPPS with Fmoc-Ala-OH
- Solvent: DMF (or greener DMF alternatives if validated).
- Activation: HBTU/HATU/DIC+Oxyma; 3–5 equiv amino acid; 5–20 min couplings.
- Deprotection: 20% piperidine/DMF, 2×5–10 min cycles.
Esterification of alanine
- Fisher conditions: alcohol solvent with catalytic H2SO4 or HCl(g) in MeOH; 0–40 °C to limit racemization; isolate as HCl salt if desired.
NCA formation (Ala-NCA)
- Phosgene equivalents (triphosgene) in anhydrous THF/CH2Cl2 at 0–25 °C under inert atmosphere; strictly anhydrous to avoid premature polymerization.
Salt formation and resolution
- Prepare crystalline salts (e.g., HCl) in alcohols/ethers for purification; maintain low temperatures to preserve enantiopurity.

These conditions reflect typical literature practices for alanine and its protected derivatives; they are not product specifications.

Safety and Handling

Item-specific GHS data
- Signal Word: Not specified for this item; refer to CoA/Spec Sheet and SDS.
- H-Statements/Pictograms/GHS Classification: Not specified for this item; refer to SDS.
General safety considerations for L-alanine (literature/typical)
- Typically regarded as non-hazardous for laboratory handling; low toxicity profile. Nonetheless, handle using good laboratory practices.
- Avoid inhalation of dusts and contact with eyes. Prevent contamination of cell-culture grade material.
PPE and engineering controls
- Wear lab coat, safety glasses, and appropriate gloves.
- Use dust control (local exhaust) when handling powders; prepare solutions in a clean environment for cell-culture use (preferably in a biosafety cabinet if sterility is required).
Incompatibilities and stability (general)
- Stable under recommended storage. Avoid strong oxidizers and strong acids/bases during storage of the solid. In solution, alanine is stable near neutral pH; prolonged exposure to high temperatures or extreme pH can lead to degradation (e.g., racemization under strong base, browning with carbonyls upon heating).
First aid (overview; defer to SDS)
- Inhalation: move to fresh air; seek medical advice if symptoms persist.
- Skin/eye contact: rinse with water; remove contaminated clothing; seek medical attention if irritation occurs.
- Ingestion: rinse mouth; seek advice if unwell.

Always consult the product SDS for authoritative safety information.

Solvent Selection

L-Alanine is a zwitterionic α-amino acid; solvent choice is driven by its ionic character and intended application (biochemistry vs. synthesis).

Polarity and miscibility (literature)
- Highly polar; dissolves readily in water and aqueous buffers across pH 2–10, with maximum solubility near its isoelectric point reduced relative to strongly acidic/basic conditions.
- Sparingly soluble in lower alcohols; practically insoluble in nonpolar organics (ether, hexane, toluene).
Practical choices
- Cell culture/media: sterile water for injection (WFI) or cell-culture–grade water; dissolve at the desired w/v, adjust pH if needed, and sterile-filter (0.22 µm).
- Peptide chemistry: aqueous buffers (for coupling in water-soluble systems), or dissolve protected derivatives (e.g., Boc-/Fmoc-Ala) in polar aprotic solvents (DMF, NMP) for SPPS.
- pH control: Use dilute HCl or NaOH to achieve complete dissolution near neutral pH if precipitation occurs at the pI.
Comparison (literature)
- Versus glycine: alanine is slightly less soluble due to the methyl side chain; buffering capacity is similarly limited.
- Versus β-alanine: different pKa set; β-alanine can be more soluble but lacks chiral center, affecting chiral uses.

For nonaqueous synthetic transformations, convert to esters/salts or use protected alanine derivatives to expand solvent compatibility.

Storage and Reconstitution

Item-specific storage and shipping
- Storage Conditions: Room temperature, Desiccated (as provided). Keep tightly closed to prevent moisture uptake and caking.
- Shipped In: Normal (ambient) conditions (as provided).
Shelf-life and stability
- Solid L-alanine is stable when kept dry at ambient temperature away from light. Not specified for this item; refer to CoA/Spec Sheet for retest/expiry.
Reconstitution (general guidance)
- Solvent: water or buffer compatible with downstream use. For cell culture, use sterile, cell-culture–grade water.
- Concentration: prepare per your formulation or media recipe. Dissolves readily with gentle stirring; mild warming (≤37 °C) can accelerate dissolution.
- pH: adjust with dilute HCl/NaOH if necessary. Avoid extremes of pH to limit racemization.
- Sterilization: sterile-filter through 0.22 µm membrane into sterile containers for aseptic applications.
Storage of solutions (guidance)
- Short-term: 2–8 °C for days to weeks depending on concentration and sterility.
- Long-term: aliquot and store at −20 °C to minimize bioburden. Avoid repeated freeze–thaw cycles.

Exact acceptance criteria (e.g., endotoxin, bioburden, assay) for this item are Not specified for this item; refer to CoA/Spec Sheet. For research use only.

Structure and Identity

A proteinogenic α-amino acid used widely in biochemistry, cell culture, and peptide synthesis.

Item-specific identifiers (from Product Data)
- SKU: A118860
- Product Name: L-Alanine
- CAS: 56-41-7
- CID: 5950
- InChIKey: 301232 (as provided)
- Grades: Animal Free; USP; JP; Ph.Eur.; Moligand™; for Cell culture
Literature/computed identifiers and structural descriptors (for reference; not item-specific)
- Molecular formula: C3H7NO2 (literature)
- Molecular weight: 89.09 g/mol (literature)
- SMILES: CC@HC(=O)O (literature; L-configuration)
- InChIKey (literature): QNAYBMKLOCPYGJ-REOHCLBHSA-N
Structural features (general chemistry)
- Functional groups: primary amine (–NH2), carboxylic acid (–CO2H); forms a zwitterion near neutral pH.
- Stereochemistry: single stereocenter at the α-carbon; L-configuration (S by CIP for alanine).
- 2D description: A three-carbon backbone with a methyl side chain (–CH3) on the α-carbon, bearing –NH2 and –CO2H substituents in the α-position.
- Class: Neutral, nonpolar (weakly hydrophobic side chain) α-amino acid.

Synthetic Utility

L-Alanine is a versatile chiral building block from the chiral pool.

Key functional handles
- α-Amino (nucleophilic when deprotonated) and carboxyl (electrophilic after activation) groups; no side-chain functionality, simplifying protection.
Typical transformations (literature)
- Peptide bond formation: activation via carbodiimides (DIC/EDC) with additives (Oxyma/HOBt) or uronium salts (HBTU/HATU).
- Esterification to methyl/benzyl esters; amidation to amides/lactams.
- Conversion to N-carboxyanhydride (Ala-NCA) for polypeptide synthesis.
- Formation of imines/Schiff bases and auxiliary-derived species for asymmetric induction.
- Decarboxylative couplings or radical transformations from activated derivatives (advanced methods).
Retrosynthetic value
- Provides ready access to enantiopure α-stereocenters in small molecules and peptidomimetics without asymmetric catalysis.
Analytical control
- Optical rotation or chiral HPLC for enantiopurity; NMR with chiral shift reagents as needed.
Practical notes
- Minimize racemization during couplings by using mild bases and fast-activating reagents; maintain low temperatures when activating carboxylates.
- For SPPS, use Fmoc-Ala-OH in DMF/NMP with standard deprotection (20% piperidine/DMF) and coupling cycles.

Target Specificity

Not applicable. This product is a small-molecule amino acid, not a biological targeting reagent (e.g., antibody, ligand with defined receptor specificity). No target specificity data are provided in the Product Data.

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Animal Free mean?

Animal Free indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

What does USP mean?

USP indicates that the material complies with the published monographs of the relevant pharmacopoeia (USP). Specifications include identity, assay, impurity limits, residual solvents and other tests defined in the monograph. USP-compliant material is suitable for pharmacopoeia-compliant pharmaceutical use, including pharmaceutical manufacturing, QC and regulatory submission.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 56-41-7, the molecular formula is C3H7NO2, and the molecular weight is 89.09 g/mol. InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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Other applications240

Organic synthesis — reaction medium197

Extraction & workup solvent120

Drug / compound screening94

Spectroscopy sample preparation98

Cell proliferation5

Nanoparticle / material biocompatibility15

Electrochemistry & battery electrolyte39

Crystallization & recrystallization6

Chromatography (HPLC / GC / TLC)28

Cytotoxicity screening15

Industrial & non-pharma application5

Cancer cell line characterization3

Polymer synthesis & polymerization15

Controlled-release & nanoparticle carrier11

Cell viability11

IC50 determination2

Cross-coupling reactions1

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Lot Number	Certificate Type	날짜	항목
H2508046	Certificate of Analysis	Aug 14, 2025	A118860
B2310332	Certificate of Analysis	Nov 30, 2022	A118860
K2224068	Certificate of Analysis	Nov 30, 2022	A118860
B2218066	Certificate of Analysis	Jan 10, 2022	A118860
B2218070	Certificate of Analysis	Jan 10, 2022	A118860
B2218073	Certificate of Analysis	Jan 10, 2022	A118860
B2218152	Certificate of Analysis	Jan 10, 2022	A118860
B2310395	Certificate of Analysis	Jan 10, 2022	A118860
C2414014	Certificate of Analysis	Jan 10, 2022	A118860
D2524045	Certificate of Analysis	Jan 10, 2022	A118860
D2610123	Certificate of Analysis	Jan 10, 2022	A118860
I2213226	Certificate of Analysis	Jan 10, 2022	A118860
K2418034	Certificate of Analysis	Jan 10, 2022	A118860

특정 회전[α]	14 ° (C=10, HCl)
녹는점(°C)	314-316°C
분자량	89.090 g/mol
XLogP3	-3.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	89.0477 Da
Monoisotopic Mass	89.0477 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	61.800
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1