ChemSpider 2D Image | 2-(Dimethylcarbamoyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate | C18H24N2O3

2-(Dimethylcarbamoyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate

  • Molecular FormulaC18H24N2O3
  • Average mass316.395 Da
  • Monoisotopic mass316.178680 Da
  • ChemSpider ID24659148

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-(Dimethylcarbamoyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate [ACD/IUPAC Name]
2-(Dimethylcarbamoyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl-benzoat [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxamide, 3-(benzoyloxy)-N,N,8-trimethyl- [ACD/Index Name]
Benzoate de 2-(diméthylcarbamoyl)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [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: 449.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.4±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.82
Polar Surface Area: 50 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 264.6±5.0 cm3

Click to predict properties on the Chemicalize site


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