ChemSpider 2D Image | (1R,5R)-3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one | C15H19NO

(1R,5R)-3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC15H19NO
  • Average mass229.318 Da
  • Monoisotopic mass229.146667 Da
  • ChemSpider ID114397338

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-3-Benzyl-3-azabicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
(1R,5R)-3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
(1R,5R)-3-Benzyl-3-azabicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonan-9-one, 3-(phenylmethyl)-, (1R,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 359.0±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 160.2±11.9 °C
Index of Refraction: 1.570
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 13.12
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 24.86
ACD/KOC (pH 7.4): 313.72
Polar Surface Area: 20 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 206.6±3.0 cm3

Click to predict properties on the Chemicalize site


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