ChemSpider 2D Image | QuinineAnhydrous | C20H24N2O2

QuinineAnhydrous

  • Molecular FormulaC20H24N2O2
  • Average mass324.417 Da
  • Monoisotopic mass324.183777 Da
  • ChemSpider ID21169210

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3ξ,8α,9R)-6'-Methoxycinchonan-9-ol [ACD/IUPAC Name]
(3ξ,8α,9R)-6'-Methoxycinchonan-9-ol [German] [ACD/IUPAC Name]
(3ξ,8α,9R)-6'-Méthoxycinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, 6'-methoxy-, (3ξ,8α,9R)- [ACD/Index Name]
QuinineAnhydrous
(2-Ethenyl-4-azabicyclo[2.2.2]oct-5-yl)-(6-methoxyquinolin-4-yl)-methanol
(R)-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
522-66-7 [RN]
GNF-PF-506
Qualaquin®
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

nchembio.79-comp24 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 495.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.7±27.3 °C
Index of Refraction: 1.638
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 14.97
Polar Surface Area: 46 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 266.4±5.0 cm3

Click to predict properties on the Chemicalize site


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