ChemSpider 2D Image | 2-Amino(4,4,5,5-~2~H_4_)-1-cyclopentene-1-carbonitrile | C6H4D4N2

2-Amino(4,4,5,5-2H4)-1-cyclopentene-1-carbonitrile

  • Molecular FormulaC6H4D4N2
  • Average mass112.166 Da
  • Monoisotopic mass112.093857 Da
  • ChemSpider ID128917928

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Cyclopentene-4,4,5,5-d4-1-carbonitrile, 2-amino- [ACD/Index Name]
2-Amino(4,4,5,5-2H4)-1-cyclopenten-1-carbonitril [German] [ACD/IUPAC Name]
2-Amino(4,4,5,5-2H4)-1-cyclopentene-1-carbonitrile [ACD/IUPAC Name]
2-Amino(4,4,5,5-2H4)-1-cyclopentène-1-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 321.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 148.1±27.9 °C
Index of Refraction: 1.530
Molar Refractivity: 30.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.80
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 45.94
Polar Surface Area: 50 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 99.7±5.0 cm3

Click to predict properties on the Chemicalize site


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