Camylofine - Moligand™, ≥98% , CAS No.54-30-8

CAS: 54-30-8 Cat. No.: C418532 分子式: C₁₉H₃₂N₂O₂ 分子量: 320.47 EC番号: 200-202-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

Avocan | Tox21_112157_1 | 3-methyl butyl 2-(2-diethyl amino ethyl amino)-2-phenyl acetate | CHEBI:95216 | Belosin | Camilofina [INN-Spanish] | DTXSID7046415 | Adopon | B-Diethylaminoethylaminophenylacetic acid isoamyl ester | Camylofin | Acamylophenine HC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

Avocan | Tox21_112157_1 | 3-methyl butyl 2-(2-diethyl amino ethyl amino)-2-phenyl acetate | CHEBI:95216 | Belosin | Camilofina [INN-Spanish] | DTXSID7046415 | Adopon | B-Diethylaminoethylaminophenylacetic acid isoamyl ester | Camylofin | Acamylophenine HC

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

カノニカル・スマイル

CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C

IUPAC Name

3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

InChIKey

RYOOHIUJEJZCFT-UHFFFAOYSA-N

INCHI

1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3

異性体SMILES

CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C

代替CAS番号

5892-41-1

分子量

320.47

Reaxy-Rn

2816984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2816984&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO
• 分子量: 320.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 320.246 Da
• Monoisotopic Mass: 320.246 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 54-30-8, the molecular formula is C19H32N2O2, and the molecular weight is 320.47 g/mol. InChIKey RYOOHIUJEJZCFT-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.