DL-α-Amino-ε-caprolactam Hydrochloride - ≥97% , CAS No.29426-64-0

CAS: 29426-64-0 Cat. No.: S135609 Molecular Weight: 164.63 Beilstein Registry Number: 22(4)6409 EC Number: 625-101-2

GRADE & PURITY ≥97%

Synonyms

3-AMINOAZEPAN-2-ONE HCL | Dl-alpha-amino-epsilon-caprolactam HCl | DL-3-Amino-2-oxohexamethyleneimine Hydrochloride | DL-3-Aminohexahydro-2-azepinone Hydrochloride | DL-alpha-Amino-epsilon-caprolactam hydrochloride | 3-Aminoazepan-2-one hydrochloride | 3-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

It may be used to prepare the optically active forms of DL-α-amino-ε-caprolactam.It may be used for the enzymatic synthesis of L-lysine by new microbial strains.

Specifications

Synonyms

3-AMINOAZEPAN-2-ONE HCL | Dl-alpha-amino-epsilon-caprolactam HCl | DL-3-Amino-2-oxohexamethyleneimine Hydrochloride | DL-3-Aminohexahydro-2-azepinone Hydrochloride | DL-alpha-Amino-epsilon-caprolactam hydrochloride | 3-Aminoazepan-2-one hydrochloride | 3-

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: 488197968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197968
• Canonical Smiles: C1CCNC(=O)C(C1)N.Cl
• IUPAC Name: 3-aminoazepan-2-one;hydrochloride
• InChIKey: LWXJCGXAYXXXRU-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H
• Isomeric SMILES: C1CCNC(=O)C(C1)N.Cl
• WGK Germany: 3
• Molecular Weight: 164.63
• Beilstein: 22(4)6409
• Reaxy-Rn: 3694090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3694090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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 amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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 amides
• Alternative Parents: Caprolactams Azepanes Secondary carboxylic acid amides Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Caprolactam - Azepane - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide 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

Chemical and Physical Properties

• Sensitivity: Air sensitive；Moisture sensitive
• Melt Point(°C): 294°C
• Molecular Weight: 164.630 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 164.072 Da
• Monoisotopic Mass: 164.072 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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: 2

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