(2S)-2-Amino-3-[1-(Phenylmethyl)Imidazol-4-Yl]Propanoic Acid
[CAS# 31534-22-2]

Identification

• Name: (2S)-2-Amino-3-[1-(Phenylmethyl)Imidazol-4-Yl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[1-(Phenylmethyl)-4-Imidazolyl]Propanoic Acid; (2S)-2-Amino-3-[1-(Benzyl)Imidazol-4-Yl]Propionic Acid; Poly(1-Benzyl-L-Histidine)
• Molecular Formula: C₁₃H₁₅N₃O₂
• Molecular Weight: 245.28
• CAS Registry Number: 31534-22-2
• SMILES: [C@H](C(=O)O)(N)CC1=C[N](C=N1)CC2=CC=CC=C2
• InChI: 1S/C13H15N3O2/c14-12(13(17)18)6-11-8-16(9-15-11)7-10-4-2-1-3-5-10/h1-5,8-9,12H,6-7,14H2,(H,17,18)/t12-/m0/s1
• InChIKey: NMXSWQMJOZUQKY-LBPRGKRZSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 484.766°C at 760 mmHg (Cal.)
• Flash point: 246.978°C (Cal.)