2-[(2-Chloroacetyl)Amino]-3-Methylbutanoic Acid
[CAS# 2279-16-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Valine derivatives
• Name: 2-[(2-Chloroacetyl)Amino]-3-Methylbutanoic Acid
• Synonyms: 2-[(2-Chloroacetyl)Amino]-3-Methyl-Butanoic Acid; 2-[(2-Chloro-1-Oxoethyl)Amino]-3-Methylbutanoic Acid; 2-[(2-Chloroacetyl)Amino]-3-Methyl-Butyric Acid
• Molecular Formula: C₇H₁₂ClNO₃
• Molecular Weight: 193.63
• CAS Registry Number: 2279-16-5
• SMILES: C(C(NC(C(C)C)C(O)=O)=O)Cl
• InChI: 1S/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)
• InChIKey: LJRISAYPKJORFZ-UHFFFAOYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Melting point: 130°C (Expl.)
• Boiling point: 394.436°C at 760 mmHg (Cal.)
• Flash point: 192.348°C (Cal.)