Methyl 6-aminohexanoate hydrochloride - ≥98% , CAS No.1926-80-3

CAS: 1926-80-3 Cat. No.: M138421 Molecular Weight: 181.66 Beilstein Registry Number: 3687692 EC Number: 692-998-5

GRADE & PURITY ≥98%

Synonyms

SCHEMBL134133 | SY025881 | FT-0633914 | J-522527 | 6-aminohexanoic acid methylester hydrochloride | Z57012282 | 6-aminohexanoic acid methyl ester hydrochloride | 6-Amino-hexanoic acid methyl ester hydrochloride | 6-aminohexanoic acid, methyl ester, hydroc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL134133 | SY025881 | FT-0633914 | J-522527 | 6-aminohexanoic acid methylester hydrochloride | Z57012282 | 6-aminohexanoic acid methyl ester hydrochloride | 6-Amino-hexanoic acid methyl ester hydrochloride | 6-aminohexanoic acid, methyl ester, hydroc

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197558
• Canonical Smiles: COC(=O)CCCCCN.Cl
• IUPAC Name: methyl 6-aminohexanoate;hydrochloride
• InChIKey: YSLDOTFAFZJPOC-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO2.ClH/c1-10-7(9)5-3-2-4-6-8;/h2-6,8H2,1H3;1H
• Isomeric SMILES: COC(=O)CCCCCN.Cl
• WGK Germany: 3
• Alternate CAS: 2780-89-4
• Molecular Weight: 181.66
• Beilstein: 3687692
• Reaxy-Rn: 3687692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3687692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 117-124 °C
• Molecular Weight: 181.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 181.087 Da
• Monoisotopic Mass: 181.087 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.600
• 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: 2

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