Phenylmethyl (S)-(1-(((2-Chloroethyl)Amino)Carbonyl)-3-Methylbutyl)Carbamate
[CAS# 83510-60-5]

Identification

• Name: Phenylmethyl (S)-(1-(((2-Chloroethyl)Amino)Carbonyl)-3-Methylbutyl)Carbamate
• Synonyms: Phenylmethyl N-[(1S)-1-(2-Chloroethylcarbamoyl)-3-Methyl-Butyl]Carbamate; N-[(1S)-1-[(2-Chloroethylamino)-Oxomethyl]-3-Methylbutyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-(2-Chloroethylcarbamoyl)-3-Methyl-Butyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₁₆H₂₃ClN₂O₃
• Molecular Weight: 326.82
• CAS Registry Number: 83510-60-5
• SMILES: [C@H](NC(=O)OCC1=CC=CC=C1)(CC(C)C)C(=O)NCCCl
• InChI: 1S/C16H23ClN2O3/c1-12(2)10-14(15(20)18-9-8-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
• InChIKey: QRTZGSGKEWWPRU-AWEZNQCLSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 522.619°C at 760 mmHg (Cal.)
• Flash point: 269.871°C (Cal.)