ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-3-(~2~H_3_)methyl(3,4,4,4-~2~H_4_)butanenitrile | C13H10D7NO2

2-(3,4-Dimethoxyphenyl)-3-(2H3)methyl(3,4,4,4-2H4)butanenitrile

  • Molecular FormulaC13H10D7NO2
  • Average mass226.323 Da
  • Monoisotopic mass226.169861 Da
  • ChemSpider ID58782504

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3,4-Dimethoxyphenyl)-3-(2H3)methyl(3,4,4,4-2H4)butanenitrile [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-3-(2H3)méthyl(3,4,4,4-2H4)butanenitrile [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-3-(2H3)methyl(3,4,4,4-2H4)butannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 3,4-dimethoxy-α-[1-(methyl-d3)ethyl-1,2,2,2-d4]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 114.5±19.7 °C
Index of Refraction: 1.499
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.80
ACD/KOC (pH 5.5): 450.73
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.80
ACD/KOC (pH 7.4): 450.73
Polar Surface Area: 42 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site


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