3-Benzylhistidine
[CAS# 109013-61-8]

Identification

• Name: 3-Benzylhistidine
• Synonyms: 2-amino-3-(1-benzyl-1H-imidazol-5-yl)propanoic acid; 2-Amino-3-(3-benzyl-3H-imidazol-4-yl)-propionic ac
• Molecular Formula: C₁₃H₁₅N₃O₂
• Molecular Weight: 245.28
• CAS Registry Number: 109013-61-8
• SMILES: C1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)N
• InChI: 1S/C13H15N3O2/c14-12(13(17)18)6-11-7-15-9-16(11)8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,14H2,(H,17,18)
• InChIKey: CCHCEIHZCRIRNS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 484.8±40.0°C at 760 mmHg (Cal.)
• Flash point: 247.0±27.3°C (Cal.)
• Refractive index: 1.627 (Cal.)