N-(2-Chloro-3-methylpentanoyl)-L-alanine
[CAS# 879123-57-6]

Identification

• Name: N-(2-Chloro-3-methylpentanoyl)-L-alanine
• Synonyms: (2S)-2-(2-chloro-3-methylpentanamido)propanoic acid
• Molecular Formula: C₉H₁₆ClNO₃
• Molecular Weight: 221.68
• CAS Registry Number: 879123-57-6
• SMILES: CCC(C)C(C(=O)N[C@@H](C)C(=O)O)Cl
• InChI: 1S/C9H16ClNO3/c1-4-5(2)7(10)8(12)11-6(3)9(13)14/h5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/t5?,6-,7?/m0/s1
• InChIKey: JZUYBOUKGMVVCX-HUDPQJTASA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 401.8±30.0°C at 760 mmHg (Cal.)
• Flash point: 196.8±24.6°C (Cal.)
• Refractive index: 1.476 (Cal.)