ChemSpider 2D Image | 3-Amino(~2~H_4_)benzonitrile | C7H2D4N2

3-Amino(2H4)benzonitrile

  • Molecular FormulaC7H2D4N2
  • Average mass122.161 Da
  • Monoisotopic mass122.078201 Da
  • ChemSpider ID53606020

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Amino(2H4)benzonitril [German] [ACD/IUPAC Name]
3-Amino(2H4)benzonitrile [ACD/IUPAC Name]
3-Amino(2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,4,6-d4, 5-amino- [ACD/Index Name]
3-Cyanoaminobenzene-2,4,5,6-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 290.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 129.2±19.8 °C
Index of Refraction: 1.590
Molar Refractivity: 34.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 99.28
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.34
ACD/KOC (pH 7.4): 99.47
Polar Surface Area: 50 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 103.5±5.0 cm3

Click to predict properties on the Chemicalize site


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