N-[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-Carbamic Acid Phenylmethyl Ester
[CAS# 26049-94-5]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Cbz-amino acid
• Name: N-[(1S)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-Carbamic Acid Phenylmethyl Ester
• Synonyms: Phenylmethyl N-[3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Carbamate; N-[3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Carbamic Acid Phenylmethyl Ester; N-[1-(Benzyl)-3-Chloro-2-Keto-Propyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₁₈H₁₈ClNO₃
• Molecular Weight: 331.80
• CAS Registry Number: 26049-94-5
• EINECS: 247-432-8
• SMILES: C2=C(CC(NC(OCC1=CC=CC=C1)=O)C(CCl)=O)C=CC=C2
• InChI: 1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)
• InChIKey: OYHLRJGDELITAF-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 503.126°C at 760 mmHg (Cal.)
• Flash point: 258.082°C (Cal.)