ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-N-methylethanamine | C16H23NO2

2-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-N-methylethanamine

  • Molecular FormulaC16H23NO2
  • Average mass261.359 Da
  • Monoisotopic mass261.172882 Da
  • ChemSpider ID34248032

More details:






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

1,3-Benzodioxole-5-ethanamine, α-cyclohexyl-N-methyl- [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-N-methylethanamin [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-N-methylethanamine [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1-cyclohexyl-N-méthyléthanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 377.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 158.8±8.7 °C
Index of Refraction: 1.546
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 30 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 239.3±3.0 cm3

Click to predict properties on the Chemicalize site






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