2-β-Methoxycarbonyl-3-β-Phenyltropane

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Properties Simple | Detailed

Formula C16H21NO2
IUPAC Name methyl (1s,3s,4s,5r,8s)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 259.343 g·mol−1
Heat of Formation -273.9 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 329.65 Å 3
Surface Area 272.16 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (+/-)-2b-carbomethoxy-3b-phenyltropane tartrate
  • (1r,2s,3s,5s)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r-(exo,exo))-8-methyl-3-phenyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-phenyl-, methyl ester, (1r-(exo,exo))-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-phenyl-, methyl ester, (1r,2s,3s,5s)-
  • d-cpt tartrate
  • win 350650-2
CAS Number(s)
  • 50372-80-0
InChIKey OMBOXYLBBHNWHL-YJNKXOJESA-N
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