1-Benzyl-N-(tert-Butoxycarbonyl)-L-Histidine
[CAS# 81018-79-3]

Identification

• Name: 1-Benzyl-N-(tert-Butoxycarbonyl)-L-Histidine
• Synonyms: 2-(Tert-Butoxycarbonylamino)-3-[1-(Phenylmethyl)Imidazol-4-Yl]Propanoic Acid; 2-[(Tert-Butoxy-Oxomethyl)Amino]-3-[1-(Phenylmethyl)-4-Imidazolyl]Propanoic Acid; 3-[1-(Benzyl)Imidazol-4-Yl]-2-(Tert-Butoxycarbonylamino)Propionic Acid
• Molecular Formula: C₁₈H₂₃N₃O₄
• Molecular Weight: 345.40
• CAS Registry Number: 81018-79-3
• SMILES: C1=C(CC(NC(OC(C)(C)C)=O)C(O)=O)N=C[N]1CC2=CC=CC=C2
• InChI: 1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)
• InChIKey: OUHPNBGKEMHUCQ-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 572.076°C at 760 mmHg (Cal.)
• Flash point: 299.781°C (Cal.)