ChemSpider 2D Image | 2-(2-Methylbenzylidene)quinuclidin-3-one | C15H17NO

2-(2-Methylbenzylidene)quinuclidin-3-one

  • Molecular FormulaC15H17NO
  • Average mass227.302 Da
  • Monoisotopic mass227.131012 Da
  • ChemSpider ID21178225

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-methylphenyl)methylene]- [ACD/Index Name]
2-(2-Methylbenzyliden)chinuclidin-3-on [German] [ACD/IUPAC Name]
2-(2-Methylbenzylidene)quinuclidin-3-one [ACD/IUPAC Name]
2-(2-Méthylbenzylidène)quinuclidin-3-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 396.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 159.1±17.3 °C
Index of Refraction: 1.606
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.62
ACD/KOC (pH 5.5): 981.66
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.62
ACD/KOC (pH 7.4): 990.90
Polar Surface Area: 20 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 197.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement