Benzyl (S)-[4-[(Aminocarbonyl)Amino]-1-[[(4-Nitrophenyl)Amino]Carbonyl]Butyl]Carbamate
[CAS# 83575-37-5]

Identification

• Name: Benzyl (S)-[4-[(Aminocarbonyl)Amino]-1-[[(4-Nitrophenyl)Amino]Carbonyl]Butyl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-1-[(4-Nitrophenyl)Carbamoyl]-4-Ureido-Butyl]Carbamate; N-[(1S)-1-[[(4-Nitrophenyl)Amino]-Oxomethyl]-4-Ureidobutyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-[(4-Nitrophenyl)Carbamoyl]-4-Ureido-Butyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₀H₂₃N₅O₆
• Molecular Weight: 429.43
• CAS Registry Number: 83575-37-5
• EINECS: 280-492-3
• SMILES: [C@H](C(NC1=CC=C([N+](=O)[O-])C=C1)=O)(NC(=O)OCC2=CC=CC=C2)CCCNC(=O)N
• InChI: 1S/C20H23N5O6/c21-19(27)22-12-4-7-17(24-20(28)31-13-14-5-2-1-3-6-14)18(26)23-15-8-10-16(11-9-15)25(29)30/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,23,26)(H,24,28)(H3,21,22,27)/t17-/m0/s1
• InChIKey: HEAHCFJXSKVWFQ-KRWDZBQOSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 731.521°C at 760 mmHg (Cal.)
• Flash point: 396.209°C (Cal.)