Ethyl (1R,2R,3S,5S)-3-(Benzoyloxy)-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C17H21NO4
IUPAC Name ethyl (1r,2r,3s,5s)-3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Mass 303.353 g·mol−1
Heat of Formation -639.4 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 362.07 Å 3
Surface Area 316.43 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,5s)-3-(benzoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
  • (1r,2r,3s,5s)-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
  • 3-(benzoyloxy)-8-azabicyclo(3.2.1)octane-2-carboxylic acid ethyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-, ethyl ester, (1r-(exo,exo))-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-, ethyl ester, (1r,2r,3s,5s)- (9ci)
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-, ethyl ester, [1r-(exo,exo)]-
  • benzoylnorecgonine ethyl ester
  • ethyl (1r,2r,3s,5s)-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
  • ethyl (1r-(exo,exo))-3-(benzoyloxy)-8-azabiyclo(3.2.1)octane-2-carboxylate
  • norcocaethylene
CAS Number(s)
  • 137220-02-1
InChIKey MABVIZVTLRQVOB-LJISPDSOSA-N
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