(2S,3S)-4-(Dimethylamino)-3-Methyl-1,2-Diphenyl-2-Butanyl Propionate

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Properties Simple | Detailed

Formula C22H29NO2
IUPAC Name [(1s,2s)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate
Molecular Mass 339.471 g·mol−1
Heat of Formation -285.6 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 446.99 Å 3
Surface Area 356.02 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2s)-3-dimethylamino-2-methyl-1-phenyl-1-(phenylmethyl)propyl] propanoate
  • [(2s,3s)-4-dimethylamino-3-methyl-1,2-di(phenyl)butan-2-yl] propanoate
  • propanoic acid [(1s,2s)-3-dimethylamino-2-methyl-1-phenyl-1-(phenylmethyl)propyl] ester
  • propionic acid [(1s,2s)-1-(benzyl)-3-dimethylamino-2-methyl-1-phenyl-propyl] ester
InChIKey XLMALTXPSGQGBX-AVRDEDQJSA-N
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