ChemSpider 2D Image | 2-Azabicyclo[2.2.2]octan-3-one | C7H11NO

2-Azabicyclo[2.2.2]octan-3-one

  • Molecular FormulaC7H11NO
  • Average mass125.168 Da
  • Monoisotopic mass125.084061 Da
  • ChemSpider ID64996557

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1r,4r)-2-Azabicyclo[2.2.2]octan-3-on [German] [ACD/IUPAC Name]
(1r,4r)-2-Azabicyclo[2.2.2]octan-3-one [ACD/IUPAC Name]
(1r,4r)-2-Azabicyclo[2.2.2]octan-3-one [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octan-3-one [ACD/Index Name] [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octan-3-one [French] [ACD/Index Name] [ACD/IUPAC Name]
MFCD30752488

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

Density: 1.1±0.1 g/cm3
Boiling Point: 297.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 167.8±3.7 °C
Index of Refraction: 1.497
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 42.74
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 42.74
Polar Surface Area: 29 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 115.5±3.0 cm3

Click to predict properties on the Chemicalize site


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