ChemSpider 2D Image | 4-((4-methylpiperazin-1-yl)methyl)picolinonitrile | C12H16N4

4-((4-methylpiperazin-1-yl)methyl)picolinonitrile

  • Molecular FormulaC12H16N4
  • Average mass216.282 Da
  • Monoisotopic mass216.137497 Da
  • ChemSpider ID26528244

More details:

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

1245646-64-3 [RN]
2-Pyridinecarbonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- [ACD/Index Name]
4-((4-methylpiperazin-1-yl)methyl)picolinonitrile
4-[(4-Methyl-1-piperazinyl)methyl]-2-pyridincarbonitril [German] [ACD/IUPAC Name]
4-[(4-Methyl-1-piperazinyl)methyl]-2-pyridinecarbonitrile [ACD/IUPAC Name]
4-[(4-Méthyl-1-pipérazinyl)méthyl]-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
4-[(4-Methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
MFCD17677314 [MDL number]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 364.9±37.0 °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: 174.5±26.5 °C
Index of Refraction: 1.590
Molar Refractivity: 62.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.57
Polar Surface Area: 43 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 185.6±5.0 cm3

Click to predict properties on the Chemicalize site


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