(1R,3R,5R)-6,6,9-Trimethyl-9-Azabicyclo[3.3.1]Non-3-Yl Hydroxy(Di-2-Thienyl)Acetate

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Formula C21H27NO3S2
IUPAC Name [(1r,3r,5r,9s)-6,6,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate
Molecular Mass 405.574 g·mol−1
Heat of Formation -387.0 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 481.55 Å 3
Surface Area 379.95 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(1r,3r,5r)-8,8,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] ester
  • 2-thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, (1r,3r,5r)-6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3-yl ester, rel-
  • 6,6,9-trimethyl-9-azabicyclo(3.3.1)non-3beta-yl di-2-thienylglycolate
  • [(1r,3r,5r)-8,8,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate
  • [(1r,3r,5r)-8,8,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-di(thiophen-2-yl)acetate
  • [(1r,3r,5r)-8,8,9-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-di(thiophen-2-yl)ethanoate
CAS Number(s)
  • 42024-98-6
InChIKey AMHPTVWBZSYFSS-BZUAXINKSA-N
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