ChemSpider 2D Image | 3-[(2,2,3,3,5,5,6,6-~2~H_8_)-1-Piperazinyl](~2~H_4_)benzonitrile | C11HD12N3

3-[(2,2,3,3,5,5,6,6-2H8)-1-Piperazinyl](2H4)benzonitrile

  • Molecular FormulaC11HD12N3
  • Average mass199.315 Da
  • Monoisotopic mass199.186264 Da
  • ChemSpider ID111330018

  • Non-standard isotope - Non-standard isotope

More details:

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

3-[(2,2,3,3,5,5,6,6-2H8)-1-Piperazinyl](2H4)benzonitril [German] [ACD/IUPAC Name]
3-[(2,2,3,3,5,5,6,6-2H8)-1-Piperazinyl](2H4)benzonitrile [ACD/IUPAC Name]
3-[(2,2,3,3,5,5,6,6-2H8)-1-Pipérazinyl](2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,4,6-d4, 5-(1-piperazinyl-2,2,3,3,5,5,6,6-d8)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.3±23.7 °C
Index of Refraction: 1.602
Molar Refractivity: 55.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.00
Polar Surface Area: 39 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 161.2±5.0 cm3

Click to predict properties on the Chemicalize site


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