ChemSpider 2D Image | (4beta,8alpha)-Cinchonan-9-ol | C19H22N2O

(4β,8α)-Cinchonan-9-ol

  • Molecular FormulaC19H22N2O
  • Average mass294.391 Da
  • Monoisotopic mass294.173218 Da
  • ChemSpider ID21587115

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4β,8α)-Cinchonan-9-ol [ACD/IUPAC Name]
(4β,8α)-Cinchonan-9-ol [German] [ACD/IUPAC Name]
(4β,8α)-Cinchonan-9-ol [French] [ACD/IUPAC Name]
Cinchonan-9-ol, (4β,8α)- [ACD/Index Name]
[118-10-5] [RN]
CINCHONINE
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461234/

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

MFCD00064372 [DBID]
  • Experimental Physico-chemical Properties

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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