ChemSpider 2D Image | (1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl diphenylacetate | C22H25NO2

(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl diphenylacetate

  • Molecular FormulaC22H25NO2
  • Average mass335.439 Da
  • Monoisotopic mass335.188538 Da
  • ChemSpider ID31146707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl diphenylacetate [ACD/IUPAC Name]
(1R,5R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-diphenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-phenyl-, (1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
Diphénylacétate de (1R,5R)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Tropacine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 142.0±19.6 °C
Index of Refraction: 1.606
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 17.59
Polar Surface Area: 30 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 287.9±5.0 cm3

Click to predict properties on the Chemicalize site


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