2-Iodo-4-(2-{4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl}Ethyl)Aniline

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Formula C19H21F3IN3
IUPAC Name 2-iodo-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Molecular Mass 475.290 g·mol−1
Heat of Formation -380.2 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 450.47 Å 3
Surface Area 398.45 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(3-iodo-4-aminophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine
  • 2-iodo-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)aniline hydrochloride
  • 2-iodo-4-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]aniline
  • [2-iodo-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]amine
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CAS Number(s)
  • 118249-07-3
InChIKey SRQUFBCRUHYBHN-UHFFFAOYSA-N
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