4-[(1E)-1-{4-[2-(Dimethylamino)Ethoxy]Phenyl}-2-(4-Isopropylphenyl)-1-Buten-1-Yl]Phenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C29H36NO5P
IUPAC Name [4-[(e)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-isopropylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
Molecular Mass 509.574 g·mol−1
Heat of Formation -1031.8 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 638.75 Å 3
Surface Area 478.09 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(e)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-(4-isopropylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
  • [4-[(e)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
  • d01853
  • iproxifene
  • miproxifene phosphate
  • miproxifene phosphate (jan)
  • phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-((1e)-4-(1-methylethyl)phenyl)-1-butenyl)-, dihydrogen phosphate (ester)
  • phenol, 4-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-(4-(1-methylethyl)phenyl)-1-butenyl)-, dihydrogen phosphate (ester), (e)-
  • tat 59
  • tat-59
CAS Number(s)
  • 115767-74-3
InChIKey QZUHFMXJZOUZFI-ZQHSETAFSA-N
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