ChemSpider 2D Image | (3-exo)-8-[Bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol | C28H31NO

(3-exo)-8-[Bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

  • Molecular FormulaC28H31NO
  • Average mass397.552 Da
  • Monoisotopic mass397.240570 Da
  • ChemSpider ID32821992

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-[Bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol [German] [ACD/IUPAC Name]
(3-exo)-8-[Bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol [ACD/IUPAC Name]
(3-exo)-8-[Bis(2-méthylphényl)méthyl]-3-phényl-8-azabicyclo[3.2.1]octan-3-ol [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-ol, 8-[bis(2-methylphenyl)methyl]-3-phenyl-, (3-exo) [ACD/Index Name]
(1R,3s,5S)-8-(di-o-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
322473-89-2 [RN]
SCH 221510

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 79.2±24.2 °C
Index of Refraction: 1.624
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.94
ACD/KOC (pH 5.5): 19.53
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 209.44
ACD/KOC (pH 7.4): 688.29
Polar Surface Area: 23 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 348.3±3.0 cm3

Click to predict properties on the Chemicalize site


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