Chemical Properties of Quinine (CAS 130-95-0)

Quinine

PDF Excel Molecule Calculator
InChI
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
InChI Key
LOUPRKONTZGTKE-UHFFFAOYSA-N
Formula
C20H24N2O2
SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12
Molecular Weight1
324.42
CAS
130-95-0
Other Names
  • (-)-Quinine
  • (8.alpha.,9R)-6'-methoxycinchonan-9-ol
  • (8S,9R)-6'-Methoxycinchonan-9-ol
  • (8S,9R)-Quinine
  • (R)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol
  • 2-Quinuclidinemethanol, «alpha»-(6-methoxy-4-quinolyl)-5-vinyl-
  • 2-Quinuclidinemethanol, «alpha»-(6-methoxy-4-quinolyl)-5-vinyl-
  • 6'-Methoxycinchonidine
  • 6'-Methoxycinchonine
  • 6-Methoxycinchonine
  • Chinin
  • Chinine
  • Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
  • Cinchonan-9-ol, 6'-methoxy-, (8«alpha»,9R)-
  • Cinchonan-9-ol, 6'-methoxy-, (8«alpha»,9R)-
  • NSC 192949
  • «alpha»-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
  • «alpha»-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
log10WS -2.79 Aq. Sol...
logPoct/wat 3.173 Crippen Calculated Property
McVol 255.120 ml/mol McGowan Calculated Property
Inp [2755.00; 2825.00]   Show Hide
Inp 2815.00 NIST
Inp 2820.00 NIST
Inp 2796.00 NIST
Inp 2760.00 NIST
Inp 2825.00 NIST
Inp 2820.00 NIST
Inp 2755.00 NIST
Inp 2797.00 NIST
Inp 2773.00 NIST
Inp 2773.00 NIST
Inp 2800.00 NIST
Inp 2798.00 NIST
Inp 2803.00 NIST
Inp 2755.00 NIST
Inp 2825.00 NIST
Inp 2797.00 NIST
Inp 2797.00 NIST
Inp 2803.00 NIST
Inp 2815.00 NIST
Inp 2797.00 NIST
Inp 2798.00 NIST

Similar Compounds

Quinidine. Strychnine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Quinine.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.