1-(2-Chloroethyl)-3-[2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl]-1-Nitrosourea
[CAS# 104691-78-3]

Identification

• Name: 1-(2-Chloroethyl)-3-[2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl]-1-Nitrosourea
• Synonyms: 1-(2-Chloroethyl)-3-[2-[4-[(Z)-1,2-Di(Phenyl)But-1-Enyl]Phenoxy]Ethyl]-1-Nitroso-Urea; Urea, N-(2-Chloroethyl)-N'-(2-(4-(1,2-Diphenyl-1-Butenyl)Phenoxy)Ethyl)-N-Nitroso-, (Z)-; N-(2-Chloroethyl)-N'-2-(4-(1,2-Diphenylbutenyl)Phenoxy)Ethyl-N-Nitrosourea
• Molecular Formula: C₂₇H₂₈ClN₃O₃
• Molecular Weight: 477.99
• CAS Registry Number: 104691-78-3
• SMILES: C1=CC(=CC=C1)C(/CC)=C(/C2=CC=CC=C2)C3=CC=C(C=C3)OCCNC(N(N=O)CCCl)=O
• InChI: 1S/C27H28ClN3O3/c1-2-25(21-9-5-3-6-10-21)26(22-11-7-4-8-12-22)23-13-15-24(16-14-23)34-20-18-29-27(32)31(30-33)19-17-28/h3-16H,2,17-20H2,1H3,(H,29,32)/b26-25-
• InChIKey: QMPIGOLIWOCECP-QPLCGJKRSA-N

Properties

• Density: 1.163g/cm³ (Cal.)