2-{4-[(1Z)-1,2-Diphenyl-1-Buten-1-Yl]Phenoxy}Ethyl (2-Chloroethyl)Nitrosocarbamate

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Properties Simple | Detailed

Formula C27H27ClN2O4
IUPAC Name 2-[4-[(z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl n-(2-chloroethyl)-n-nitroso-carbamate
Molecular Mass 478.967 g·mol−1
Heat of Formation -296.7 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 557.42 Å 3
Surface Area 415.2 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl n-(2-chloroethyl)-n-nitroso-carbamate
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl n-(2-chloroethyl)-n-nitrosocarbamate
  • carbamic acid, (2-chloroethyl)nitroso-, 2-(4-(1,2-diphenyl-1-butenyl)phenoxy)ethyl ester, (z)-
  • n-(2-chloroethyl)-n-nitroso-2-(4-(1,2-diphenylbutenyl)phenoxy)ethyl carbamate
  • n-(2-chloroethyl)-n-nitroso-carbamic acid 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl ester
  • n-(2-chloroethyl)-n-nitrosocarbamic acid 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl ester
  • n-nitroso-dbpe-carbamate
  • tamoxifen nitrosocarbamate
CAS Number(s)
  • 104691-77-2
InChIKey MVRABSBYMCPHBM-QPLCGJKRSA-N
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