2-(4-Chloro-Benzoylamino)-3-Methyl-Butyric Acid
[CAS# 93709-63-8]

Identification

• Name: 2-(4-Chloro-Benzoylamino)-3-Methyl-Butyric Acid
• Synonyms: (2S)-2-[(4-Chlorobenzoyl)Amino]-3-Methyl-Butanoate; (2S)-2-[[(4-Chlorophenyl)-Oxomethyl]Amino]-3-Methylbutanoate; (2S)-2-[(4-Chlorobenzoyl)Amino]-3-Methyl-Butyrate
• Molecular Formula: C₁₂H₁₃ClNO₃
• Molecular Weight: 254.69
• CAS Registry Number: 93709-63-8
• SMILES: [C@@H](NC(=O)C1=CC=C(Cl)C=C1)(C([O-])=O)C(C)C
• InChI: 1S/C12H14ClNO3/c1-7(2)10(12(16)17)14-11(15)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1
• InChIKey: MKKHOWQSYIOOLE-JTQLQIEISA-M

Properties

• Boiling point: 454.174°C at 760 mmHg (Cal.)
• Flash point: 228.477°C (Cal.)