(2S)-2-(Benzylamino)-4-(cyclohexylamino)-4-oxobutanoic acid
[CAS# 107328-14-3]

Identification

• Name: (2S)-2-(Benzylamino)-4-(cyclohexylamino)-4-oxobutanoic acid
• Synonyms: (2S)-4-(Cyclohexylamino)-4-Oxo-2-(Phenylmethylammonio)Butanoate; (2S)-2-(Benzylammonio)-4-(Cyclohexylamino)-4-Keto-Butyrate; Zinc00215553
• Molecular Formula: C₁₇H₂₄N₂O₃
• Molecular Weight: 304.39
• CAS Registry Number: 107328-14-3
• SMILES: [C@@H]([NH2+]CC1=CC=CC=C1)(C([O-])=O)CC(=O)NC2CCCCC2
• InChI: 1S/C17H24N2O3/c20-16(19-14-9-5-2-6-10-14)11-15(17(21)22)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,19,20)(H,21,22)/t15-/m0/s1
• InChIKey: VCCYANQOUCPGQP-HNNXBMFYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 548.554°C at 760 mmHg (Cal.)
• Flash point: 285.556°C (Cal.)