(1R,2S,5R,6S)-2-Hydroxy-8-Azabicyclo[3.2.1]Oct-6-Yl Acetate

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Properties Simple | Detailed

Formula C9H15NO3
IUPAC Name [(1r,4s,5r,7s)-4-hydroxy-8-azabicyclo[3.2.1]octan-7-yl] acetate
Molecular Mass 185.220 g·mol−1
Heat of Formation -602.8 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 222.84 Å 3
Surface Area 208.96 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 8-azabicyclo(3.2.1)octane-3,6-diol, 6-acetate, (exo,exo)-(-)-
  • [(1r,4s,5r,7s)-4-hydroxy-8-azabicyclo[3.2.1]octan-7-yl] acetate
  • [(1r,4s,5r,7s)-4-hydroxy-8-azabicyclo[3.2.1]octan-7-yl] ethanoate
  • acetic acid [(1r,4s,5r,7s)-4-hydroxy-8-azabicyclo[3.2.1]octan-7-yl] ester
  • bao gong teng a
CAS Number(s)
  • 74239-84-2
InChIKey FSXBMHMVOFJROW-HXFLIBJXSA-N
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