ChemSpider 2D Image | 3-{[(1-Isobutyl-1H-imidazol-2-yl)methyl]amino}-2-pyrazinecarbonitrile | C13H16N6

3-{[(1-Isobutyl-1H-imidazol-2-yl)methyl]amino}-2-pyrazinecarbonitrile

  • Molecular FormulaC13H16N6
  • Average mass256.306 Da
  • Monoisotopic mass256.143646 Da
  • ChemSpider ID30463977

More details:

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

2-Pyrazinecarbonitrile, 3-[[[1-(2-methylpropyl)-1H-imidazol-2-yl]methyl]amino]- [ACD/Index Name]
3-{[(1-Isobutyl-1H-imidazol-2-yl)methyl]amino}-2-pyrazincarbonitril [German] [ACD/IUPAC Name]
3-{[(1-Isobutyl-1H-imidazol-2-yl)methyl]amino}-2-pyrazinecarbonitrile [ACD/IUPAC Name]
3-{[(1-Isobutyl-1H-imidazol-2-yl)méthyl]amino}-2-pyrazinecarbonitrile [French] [ACD/IUPAC Name]
3-({[1-(2-METHYLPROPYL)-1H-IMIDAZOL-2-YL]METHYL}AMINO)PYRAZINE-2-CARBONITRILE
3-({[1-(2-METHYLPROPYL)IMIDAZOL-2-YL]METHYL}AMINO)PYRAZINE-2-CARBONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.635
Molar Refractivity: 75.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.38
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 67.39
Polar Surface Area: 79 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 209.6±7.0 cm3

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