(3S)-3-[(2R)-2-Hydroxy-3-(Isopropylamino)Propoxy]-2-Phenyl-1-Isoindolinone

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Properties Simple | Detailed

Formula C20H24N2O3
IUPAC Name (3s)-3-[(2r)-2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-isoindolin-1-one
Molecular Mass 340.416 g·mol−1
Heat of Formation -350.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 419.32 Å 3
Surface Area 344.81 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(2r)-2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-isoindolin-1-one
  • (3s)-3-[(2r)-2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3h-isoindol-1-one
  • 1h-isoindol-1-one, 2,3-dihydro-3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-2-phenyl-, (r*,s*)-(+-)-
  • 3-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-1-isoindolinone
  • nofedone
InChIKey KUHVZVZAYMLXGA-UZLBHIALSA-N
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