N-Benzoylhistidine
[CAS# 19785-88-7]

Identification

• Name: N-Benzoylhistidine
• Synonyms: (2S)-3-(3H-Imidazol-4-Yl)-2-[(Oxo-Phenylmethyl)Amino]Propanoic Acid; (2S)-2-(Benzoylamino)-3-(3H-Imidazol-4-Yl)Propionic Acid; (2S)-3-(3H-Imidazol-4-Yl)-2-(Phenylcarbonylamino)Propanoic Acid
• Molecular Formula: C₁₃H₁₃N₃O₃
• Molecular Weight: 259.26
• CAS Registry Number: 19785-88-7
• SMILES: [C@H](NC(=O)C1=CC=CC=C1)(CC2=CN=C[NH]2)C(O)=O
• InChI: 1S/C13H13N3O3/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/m0/s1
• InChIKey: AUDPUFBIVWMAED-NSHDSACASA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 662.28°C at 760 mmHg (Cal.)
• Flash point: 354.334°C (Cal.)