N-Chloroacetylglycine - ≥99%(T) , CAS No.6319-96-6

CAS: 6319-96-6 Cat. No.: N159827 Molecular Weight: 151.55 EC Number: 676-802-5

GRADE & PURITY ≥99%(T)

Synonyms

STK967059 | SCHEMBL1965772 | FD21633 | AS-49140 | HY-W141892 | 2-(2-chloroacetamido)acetic acid | Glycine, N-(chloroacetyl)- | FT-0629115 | Chloroacetyl glycine | n-(chloroacetyl)glycine | 2-[(2-chloroacetyl)amino]acetic acid | MFCD00021733 | DTXSID702835

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

STK967059 | SCHEMBL1965772 | FD21633 | AS-49140 | HY-W141892 | 2-(2-chloroacetamido)acetic acid | Glycine, N-(chloroacetyl)- | FT-0629115 | Chloroacetyl glycine | n-(chloroacetyl)glycine | 2-[(2-chloroacetyl)amino]acetic acid | MFCD00021733 | DTXSID702835

Specifications & Purity

≥99%(T)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 488188847
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188847
• Canonical Smiles: C(C(=O)O)NC(=O)CCl
• IUPAC Name: 2-[(2-chloroacetyl)amino]acetic acid
• InChIKey: DLDTUYIGYMNERN-UHFFFAOYSA-N
• INCHI: 1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
• Isomeric SMILES: C(C(=O)O)NC(=O)CCl
• Molecular Weight: 151.55
• Reaxy-Rn: 1765217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765217&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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Chloroacetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-alpha-amino acid - Chloroacetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

• Melt Point(°C): 102 °C
• Molecular Weight: 151.550 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.004 Da
• Monoisotopic Mass: 151.004 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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