ChemSpider 2D Image | (9S)-Cinchonan-9-ol | C19H22N2O

(9S)-Cinchonan-9-ol

  • Molecular FormulaC19H22N2O
  • Average mass294.391 Da
  • Monoisotopic mass294.173218 Da
  • ChemSpider ID21169466

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(9S)-Cinchonan-9-ol [ACD/IUPAC Name]
(9S)-Cinchonan-9-ol [German] [ACD/IUPAC Name]
(9S)-Cinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, (9S)- [ACD/Index Name]
(+)-Cinchonine
(+)-Quinolin-4-yl(5-vinylquinuclidin-2-yl)methanol
(1S)-Quinolin-4-yl((2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol
(1S)-quinolin-4-yl((2R,4S,5S)-5-vinylquinuclidin-2-yl)methanol
(S)-[(2R,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
5/10/118
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

27370_FLUKA [DBID]
857270_ALDRICH [DBID]
MFCD00064372 [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: 464.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 234.7±24.6 °C
    Index of Refraction: 1.652
    Molar Refractivity: 89.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 1.25
    ACD/KOC (pH 7.4): 11.88
    Polar Surface Area: 36 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 56.4±5.0 dyne/cm
    Molar Volume: 244.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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