2-[(2-Chloroacetyl)Amino]-3-Methylpentanoic Acid
[CAS# 1115-24-8]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Isoleucine derivative
• Name: 2-[(2-Chloroacetyl)Amino]-3-Methylpentanoic Acid
• Synonyms: 2-[(2-Chloroacetyl)Amino]-3-Methyl-Pentanoic Acid; 2-[(2-Chloro-1-Oxoethyl)Amino]-3-Methylpentanoic Acid; 2-[(2-Chloroacetyl)Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₈H₁₄ClNO₃
• Molecular Weight: 207.66
• CAS Registry Number: 1115-24-8
• SMILES: C(C(C(NC(CCl)=O)C(O)=O)C)C
• InChI: 1S/C8H14ClNO3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
• InChIKey: HEZNGQNQHGVQLO-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Melting point: 101°C (Expl.)
• Boiling point: 401.145°C at 760 mmHg (Cal.)
• Flash point: 196.406°C (Cal.)