2-{4-[(1Z)-1-(4-Iodophenyl)-2-Phenyl-1-Buten-1-Yl]Phenoxy}-N,N-Dimethylethanamine

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Properties Simple | Detailed

Formula C26H28INO
IUPAC Name 2-[4-[(z)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-n,n-dimethyl-ethanamine
Molecular Mass 497.411 g·mol−1
Heat of Formation 175.5 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 532.81 Å 3
Surface Area 445.77 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-(1-(4-iodophenyl)-2-phenyl-1-butenyl)phenoxy)-n,n-dimethylethylamine
  • 2-[4-[(z)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]-n,n-dimethyl-ethanamine
  • 2-[4-[(z)-1-(4-iodophenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-dimethyl-amine
  • 2-[4-[(z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]-n,n-dimethylethanamine
  • 4-iodotamoxifen
CAS Number(s)
  • 116057-68-2
InChIKey BSZGETWFQDIDDX-OCEACIFDSA-N
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