Methyl 7-aminoheptanoate hydrochloride - ≥97% , CAS No.17994-94-4

CAS: 17994-94-4 Cat. No.: M191642 Molecular Weight: 195.69 EC Number: 682-559-6

GRADE & PURITY ≥97%

Synonyms

methyl 7-aminoheptanoate hydrochloride | methyl 7-amino-heptanoate hydrochloride | DS-14415 | methyl 7-aminoheptanoate HCl | Methyl 7-aminoheptanoate--hydrogen chloride (1/1) | 7-Aminoheptanoic acid methyl ester hydrochloride | DTXSID50550101 | 7-Amino-he

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

methyl 7-aminoheptanoate hydrochloride | methyl 7-amino-heptanoate hydrochloride | DS-14415 | methyl 7-aminoheptanoate HCl | Methyl 7-aminoheptanoate--hydrogen chloride (1/1) | 7-Aminoheptanoic acid methyl ester hydrochloride | DTXSID50550101 | 7-Amino-he

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767508
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767508
• Canonical Smiles: COC(=O)CCCCCCN.Cl
• IUPAC Name: methyl 7-aminoheptanoate;hydrochloride
• InChIKey: CHMAEAFFKRYPQT-UHFFFAOYSA-N
• INCHI: 1S/C8H17NO2.ClH/c1-11-8(10)6-4-2-3-5-7-9;/h2-7,9H2,1H3;1H
• Isomeric SMILES: COC(=O)CCCCCCN.Cl
• Alternate CAS: 39979-08-3
• Molecular Weight: 195.69
• Reaxy-Rn: 5602327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5602327&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 Organic oxides Monoalkylamines Hydrochlorides 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 - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - 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

• Molecular Weight: 195.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 195.103 Da
• Monoisotopic Mass: 195.103 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 104.000
• 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: 2

XLogP3