ChemSpider 2D Image | 6-[(5-Methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane | C27H33NO2

6-[(5-Methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

  • Molecular FormulaC27H33NO2
  • Average mass403.556 Da
  • Monoisotopic mass403.251129 Da
  • ChemSpider ID22494266

More details:

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

6-[(5-Methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
6-[(5-Methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
6-[(5-Méthoxy-2-méthyl-3-phényl-1-benzofuran-6-yl)méthyl]-1,3,3-triméthyl-6-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
6-Azabicyclo[3.2.1]octane, 6-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-1,3,3-trimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.6±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 123.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 76.26
ACD/KOC (pH 5.5): 110.71
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 1568.29
ACD/KOC (pH 7.4): 2276.94
Polar Surface Area: 26 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 368.0±3.0 cm3

Click to predict properties on the Chemicalize site


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