(S)-[2-Amino-1-(1H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-Carbamic Acid Phenylmethyl Ester
[CAS# 16706-41-5]

Identification

• Name: (S)-[2-Amino-1-(1H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-Carbamic Acid Phenylmethyl Ester
• Synonyms: Phenylmethyl N-[2-Amino-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamate; N-[2-Amino-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[2-Amino-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₁₄H₁₆N₄O₃
• Molecular Weight: 288.31
• CAS Registry Number: 16706-41-5
• SMILES: C1=C([NH]C=N1)CC(NC(OCC2=CC=CC=C2)=O)C(=O)N
• InChI: 1S/C14H16N4O3/c15-13(19)12(6-11-7-16-9-17-11)18-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H2,15,19)(H,16,17)(H,18,20)
• InChIKey: YLVGCKUYWFCKIV-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 662.076°C at 760 mmHg (Cal.)
• Flash point: 354.211°C (Cal.)