ChemSpider 2D Image | (3R,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl 2,2-diphenylpropanoate | C23H27NO2

(3R,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl 2,2-diphenylpropanoate

  • Molecular FormulaC23H27NO2
  • Average mass349.466 Da
  • Monoisotopic mass349.204193 Da
  • ChemSpider ID23193369
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(3R,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl 2,2-diphenylpropanoate [ACD/IUPAC Name]
(3R,5R)-6-Methyl-6-azabicyclo[3.2.1]oct-3-yl-2,2-diphenylpropanoat [German] [ACD/IUPAC Name]
(3R,5S)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl 2,2-diphenylpropanoate
2,2-Diphénylpropanoate de (3R,5R)-6-méthyl-6-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-α-phenyl-, (3R,5R)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]
benzeneacetic acid, α-methyl-α-phenyl-, (3R,5S)-6-methyl-6-azabicyclo[3.2.1]oct-3-yl ester
(3R)-6-methyl-6-azabicyclo[3.2.1]octan-3-yl 2,2-diphenylpropanoate
2,2-Diphenyl-propionic acid 6-methyl-6-aza-bicyclo[3.2.1]oct-3-yl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 140.9±16.3 °C
Index of Refraction: 1.600
Molar Refractivity: 104.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 7.11
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 24.24
ACD/KOC (pH 7.4): 100.29
Polar Surface Area: 30 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 303.9±5.0 cm3

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