ChemSpider 2D Image | {[1-(1,3-Benzodioxol-5-yl)-2-propanyl](methyl)amino}acetonitrile | C13H16N2O2

{[1-(1,3-Benzodioxol-5-yl)-2-propanyl](methyl)amino}acetonitrile

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID74575087

More details:

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

{[1-(1,3-Benzodioxol-5-yl)-2-propanyl](methyl)amino}acetonitril [German] [ACD/IUPAC Name]
{[1-(1,3-Benzodioxol-5-yl)-2-propanyl](methyl)amino}acetonitrile [ACD/IUPAC Name]
{[1-(1,3-Benzodioxol-5-yl)-2-propanyl](méthyl)amino}acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[[2-(1,3-benzodioxol-5-yl)-1-methylethyl]methylamino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 379.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.3±24.6 °C
Index of Refraction: 1.552
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 8.65
ACD/KOC (pH 5.5): 151.79
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.09
ACD/KOC (pH 7.4): 194.54
Polar Surface Area: 45 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 200.5±3.0 cm3

Click to predict properties on the Chemicalize site


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