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Search term: OZBJHOWASPNNLC (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2E)-1-(3,5-Dimethylphenyl)-2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]ethanol | C30H33NO

(2E)-1-(3,5-Dimethylphenyl)-2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]ethanol

  • Molecular FormulaC30H33NO
  • Average mass423.589 Da
  • Monoisotopic mass423.256226 Da
  • ChemSpider ID58916953
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-1-(3,5-Dimethylphenyl)-2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-yliden]ethanol [German] [ACD/IUPAC Name]
(2E)-1-(3,5-Dimethylphenyl)-2-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]ethanol [ACD/IUPAC Name]
(2E)-1-(3,5-Diméthylphényl)-2-[2-(diphénylméthyl)-1-azabicyclo[2.2.2]oct-3-ylidène]éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(E)-[2-(diphenylmethyl)-1-azabicyclo[2.2.2]oct-3-ylidene]methyl]-3,5-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 578.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 285.1±27.4 °C
Index of Refraction: 1.646
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 50.98
ACD/KOC (pH 5.5): 103.66
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 2399.75
ACD/KOC (pH 7.4): 4880.12
Polar Surface Area: 23 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 365.6±5.0 cm3

Click to predict properties on the Chemicalize site






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