ChemSpider 2D Image | (1R,2R,4S,5S)-2,4-Bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one | C20H19Cl2NO

(1R,2R,4S,5S)-2,4-Bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC20H19Cl2NO
  • Average mass360.277 Da
  • Monoisotopic mass359.084381 Da
  • ChemSpider ID24741994

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,4S,5S)-2,4-Bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
(1R,2R,4S,5S)-2,4-Bis(3-chlorophényl)-3-azabicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
(1R,2R,4S,5S)-2,4-Bis(3-chlorphenyl)-3-azabicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonan-9-one, 2,4-bis(3-chlorophenyl)-, (1R,2R,4S,5S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 169.05
ACD/KOC (pH 5.5): 584.74
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2715.17
ACD/KOC (pH 7.4): 9391.59
Polar Surface Area: 29 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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