3-[(2-chloroacetyl)amino]propanoic Acid

Base Information

• Chemical Name: 3-[(2-chloroacetyl)amino]propanoic Acid
• CAS No.: 4596-38-7
• Molecular Formula: C₅H₈ClNO₃
• Molecular Weight: 165.576
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID80383545
• Nikkaji Number: J441.098J
• Wikidata: Q82175317
• Mol file: 4596-38-7.mol

Synonyms:4596-38-7;3-(2-chloroacetamido)propanoic acid;3-[(2-chloroacetyl)amino]propanoic Acid;CHLOROAC-BETA-ALA-OH;n-chloroacetyl-beta-alanine;N-(2-Chloroacetyl)-beta-alanine;SCHEMBL8194422;DTXSID80383545;MFCD00045938;AKOS009158303;SS-4240;CS-0317754;FT-0635368;W18663;J-510492

Chemical Property of 3-[(2-chloroacetyl)amino]propanoic Acid

Chemical Property:

• Melting Point: 91 °C
• Boiling Point: 401.5 °C at 760 mmHg
• Flash Point: 196.6 °C
• PSA: 66.40000
• Density: 1.341 g/cm³
• LogP: 0.20700
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.0192708
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Chloroacetyl)-beta-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CNC(=O)CCl)C(=O)O