N-(Chloroacetyl)-L-Isoleucine
[CAS# 67253-30-9]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Isoleucine derivative
• Name: N-(Chloroacetyl)-L-Isoleucine
• Synonyms: (2S,3S)-2-[(2-Chloroacetyl)Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[(2-Chloro-1-Oxoethyl)Amino]-3-Methylpentanoic Acid; (2S,3S)-2-[(2-Chloroacetyl)Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₈H₁₄ClNO₃
• Molecular Weight: 207.66
• CAS Registry Number: 67253-30-9
• EINECS: 266-624-2
• SMILES: [C@H](NC(=O)CCl)([C@H](CC)C)C(=O)O
• 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)/t5-,7-/m0/s1
• InChIKey: HEZNGQNQHGVQLO-FSPLSTOPSA-N

Properties

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