ChemSpider 2D Image | {[1-(1,3-Benzodioxol-5-yl)-2-propanyl]amino}acetonitrile | C12H14N2O2

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

  • Molecular FormulaC12H14N2O2
  • Average mass218.252 Da
  • Monoisotopic mass218.105530 Da
  • ChemSpider ID74897074

More details:






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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 391.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.7±26.5 °C
Index of Refraction: 1.553
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.53
ACD/KOC (pH 5.5): 158.45
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 169.04
Polar Surface Area: 54 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 185.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement