Methyl (1R,2S,3S,5S)-8-Methyl-3-(4-Methylphenyl)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Formula C17H23NO2
IUPAC Name methyl (1r,2s,3s,5s)-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 273.370 g·mol−1
Heat of Formation -314.6 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 350.49 Å 3
Surface Area 291.02 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,5s)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 3-(4-methylphenyl)tropane-2-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-(4-methylphenyl)-, methyl ester, (1r-(exo,exo))-
  • 8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane-2-carboxylate
  • methyl (1r-(exo,exo))-8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane-2-carboxylate
  • rti 32
  • rti-coc 32
  • rti-coc-32
CAS Number(s)
  • 130342-81-3
InChIKey MMKZDDDDODERSJ-JJXSEGSLSA-N
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