Quinine

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Properties Simple | Detailed

Formula C20H24N2O2
IUPAC Name (r)-(6-methoxy-4-quinolyl)-[(1s,2s,4s,5r)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 324.417 g·mol−1
Heat of Formation -94.4 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 401.3 Å 3
Surface Area 340.47 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • (8.alpha.,9r)-6'-methoxycinchonan-9-ol
  • (r)-(6-methoxy-4-quinolyl)-[(2s,4s,5r)-5-vinyl-2-quinuclidinyl]methanol
  • (r)-(6-methoxy-4-quinolyl)-[(2s,4s,5r)-5-vinylquinuclidin-2-yl]methanol
  • (r)-[(4s,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
  • 130-89-2 (hydrochloride)
  • 549-56-4 (bisulfate)
  • 6119-47-7 (hydrochloride dihydrate)
  • 6119-70-6 (2:1 sulfate salt, dihydrate)
  • 6183-68-2 (bisulfate heptahydrate)
  • 804-63-7 (2:1 sulfate salt)
  • biquinate (*bisulfate heptathydrate*)
  • cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9r)-, sulfate
  • dentojel (*bisulfate heptathydrate*)
  • quinamm (*2:1 sulfate salt*), dihydrate
  • quine (*2:1 sulfate salt*, dihydrate)
  • quinine tannate
  • quinine, tannate
  • quinoline alkaloid
  • quinsan (*2:1 sulfate salt*), dihydrate
  • sb 01652
CAS Number(s)
  • 1407-83-6
InChIKey LOUPRKONTZGTKE-WZBLMQSHSA-N
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