2-{4-[(1Z)-1,2-Diphenyl-1-Buten-1-Yl]-2-Iodophenoxy}-N,N-Dimethylethanamine

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Properties Simple | Detailed

Formula C26H28INO
IUPAC Name 2-[4-[(z)-1,2-diphenylbut-1-enyl]-2-iodo-phenoxy]-n,n-dimethyl-ethanamine
Molecular Mass 497.411 g·mol−1
Heat of Formation 168.7 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 532.09 Å 3
Surface Area 409.56 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]-2-iodo-phenoxy]-n,n-dimethyl-ethanamine
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]-2-iodo-phenoxy]ethyl-dimethyl-amine
  • 2-[4-[(z)-1,2-di(phenyl)but-1-enyl]-2-iodophenoxy]-n,n-dimethylethanamine
  • iodotamoxifen
CAS Number(s)
  • 76070-10-5
InChIKey BQCKHKPFDCASMY-RWEWTDSWSA-N
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