ChemSpider 2D Image | (1S,5S)-9-Methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane | C16H23NO

(1S,5S)-9-Methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane

  • Molecular FormulaC16H23NO
  • Average mass245.360 Da
  • Monoisotopic mass245.177963 Da
  • ChemSpider ID34256284

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-9-Methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonan [German] [ACD/IUPAC Name]
(1S,5S)-9-Methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane [ACD/IUPAC Name]
(1S,5S)-9-Méthoxy-3-méthyl-9-phényl-3-azabicyclo[3.3.1]nonane [French] [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonane, 9-methoxy-3-methyl-9-phenyl-, (1S,5S)- [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: 332.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 98.3±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 74.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 19.80
Polar Surface Area: 12 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 231.0±5.0 cm3

Click to predict properties on the Chemicalize site


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