ChemSpider 2D Image | quinoline, decahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-, (4aS,5S,7S,8aS)- | C22H40N2

quinoline, decahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-, (4aS,5S,7S,8aS)-

  • Molecular FormulaC22H40N2
  • Average mass332.566 Da
  • Monoisotopic mass332.319153 Da
  • ChemSpider ID21431227

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

quinoline, decahydro-7-methyl-5-[[(4S,6S,8R,9aS)-octahydro-6,8-dimethyl-2H-quinolizin-4-yl]methyl]-, (4aS,5S,7S,8aS)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 380.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 86.6±10.0 °C
Index of Refraction: 1.530
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.37
Polar Surface Area: 15 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 333.7±5.0 cm3

Click to predict properties on the Chemicalize site


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