1-[(1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Oct-2-Yl]-1-Propanone

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Formula C18H25NO
IUPAC Name 1-[(1s,3s,4s,5r,8s)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octan-4-yl]propan-1-one
Molecular Mass 271.397 g·mol−1
Heat of Formation -156.8 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 358.12 Å 3
Surface Area 300.68 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 3.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)oct-2-yl)-1-propanone (1r-(exo,exo))-
  • 1-[(1r,2s,3s,5s)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
  • 1-propanone, 1-(8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)oct-2-yl)-, (1r-(exo,exo))-
  • 2-propanoyl-3-(4-toluyl)tropane
  • 2-propanoyl-3-(4-tolyl)tropane
  • 2-ptt
  • 2beta-propanoyl-3beta-(4-tolyl)tropane
CAS Number(s)
  • 152783-29-4
InChIKey PZEAJTAVRYLBTK-LHHMISFZSA-N
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