Tridecanedioic Acid - ≥96% , CAS No.505-52-2

CAS: 505-52-2 Cat. No.: T161927 Formule: C₁₃H₂₄O₄ Poids moléculaire: 244.33 Beilstein Registry Number: 2731 Numéro CE: 208-011-4 PubChem CID: 10458

GRADE & PURITY ≥96%

Synonyms

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

488181138

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181138

Sourires canoniques

C(CCCCCC(=O)O)CCCCCC(=O)O

IUPAC Name

tridecanedioic acid

InChIKey

DXNCZXXFRKPEPY-UHFFFAOYSA-N

INCHI

1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

Isomères SMILES

C(CCCCCC(=O)O)CCCCCC(=O)O

WGK Allemagne

3

PubChem CID

10458

Poids moléculaire

244.33

Beilstein

2731

Reaxy-Rn

1786404

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Dicarboxylic acids

Data sources

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

Propriétés chimiques et physiques

• Point de fusion (°C): 113 °C
• Poids moléculaire: 244.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 505-52-2, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey DXNCZXXFRKPEPY-UHFFFAOYSA-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.