ChemSpider 2D Image | 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate | C17H21NO2

8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate

  • Molecular FormulaC17H21NO2
  • Average mass271.354 Da
  • Monoisotopic mass271.157227 Da
  • ChemSpider ID21537475

More details:






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

8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate [ACD/IUPAC Name]
8-Methyl-8-azabicyclo[3.2.1]oct-3-ylatropat [German] [ACD/IUPAC Name]
Atropate de 8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 389.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 136.5±18.8 °C
Index of Refraction: 1.572
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.71
Polar Surface Area: 30 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 239.6±5.0 cm3

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