ChemSpider 2D Image | 3-[4-(5-Bromo-2-pyrimidinyl)-1-piperazinyl]propanenitrile | C11H14BrN5

3-[4-(5-Bromo-2-pyrimidinyl)-1-piperazinyl]propanenitrile

  • Molecular FormulaC11H14BrN5
  • Average mass296.166 Da
  • Monoisotopic mass295.043243 Da
  • ChemSpider ID30145007

More details:

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

1-Piperazinepropanenitrile, 4-(5-bromo-2-pyrimidinyl)- [ACD/Index Name]
3-[4-(5-Brom-2-pyrimidinyl)-1-piperazinyl]propannitril [German] [ACD/IUPAC Name]
3-[4-(5-Bromo-2-pyrimidinyl)-1-piperazinyl]propanenitrile [ACD/IUPAC Name]
3-[4-(5-Bromo-2-pyrimidinyl)-1-pipérazinyl]propanenitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 478.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.3±31.5 °C
Index of Refraction: 1.583
Molar Refractivity: 67.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.28
ACD/KOC (pH 5.5): 132.13
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.84
ACD/KOC (pH 7.4): 178.54
Polar Surface Area: 56 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site


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