ChemSpider 2D Image | MFCD10013881 | C13H18N2O2

MFCD10013881

  • Molecular FormulaC13H18N2O2
  • Average mass234.294 Da
  • Monoisotopic mass234.136826 Da
  • ChemSpider ID20058349

More details:

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

(3,4-Dimethoxyphenyl)(isopropylamino)acetonitril [German] [ACD/IUPAC Name]
(3,4-Dimethoxyphenyl)(isopropylamino)acetonitrile [ACD/IUPAC Name]
(3,4-Diméthoxyphényl)(isopropylamino)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 3,4-dimethoxy-α-[(1-methylethyl)amino]- [ACD/Index Name]
MFCD10013881

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

Density: 1.0±0.1 g/cm3
Boiling Point: 358.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.4±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.73
ACD/KOC (pH 5.5): 163.84
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 164.91
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 223.1±3.0 cm3

Click to predict properties on the Chemicalize site


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