ChemSpider 2D Image | 2-Chloro-4-[4-(2-pyridinylmethyl)-1-piperazinyl]benzonitrile | C17H17ClN4

2-Chloro-4-[4-(2-pyridinylmethyl)-1-piperazinyl]benzonitrile

  • Molecular FormulaC17H17ClN4
  • Average mass312.797 Da
  • Monoisotopic mass312.114166 Da
  • ChemSpider ID30449471

More details:

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

2-Chlor-4-[4-(2-pyridinylmethyl)-1-piperazinyl]benzonitril [German] [ACD/IUPAC Name]
2-Chloro-4-[4-(2-pyridinylmethyl)-1-piperazinyl]benzonitrile [ACD/IUPAC Name]
2-Chloro-4-[4-(2-pyridinylméthyl)-1-pipérazinyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-chloro-4-[4-(2-pyridinylmethyl)-1-piperazinyl]- [ACD/Index Name]
2-CHLORO-4-[4-(PYRIDIN-2-YLMETHYL)PIPERAZIN-1-YL]BENZONITRILE
2-CHLORO-4-{4-[(PYRIDIN-2-YL)METHYL]PIPERAZIN-1-YL}BENZONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.2±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 45.51
ACD/KOC (pH 5.5): 459.27
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.26
ACD/KOC (pH 7.4): 779.70
Polar Surface Area: 43 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 239.8±5.0 cm3

Click to predict properties on the Chemicalize site


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