ChemSpider 2D Image | 3-{[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-(trifluoromethyl)benzonitrile | C13H12F3N5

3-{[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-(trifluoromethyl)benzonitrile

  • Molecular FormulaC13H12F3N5
  • Average mass295.263 Da
  • Monoisotopic mass295.104492 Da
  • ChemSpider ID35184296

More details:

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

3-{[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-{[(4-Ethyl-4H-1,2,4-triazol-3-yl)methyl]amino}-4-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-{[(4-Éthyl-4H-1,2,4-triazol-3-yl)méthyl]amino}-4-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]amino]-4-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 474.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 72.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.54
ACD/KOC (pH 5.5): 624.69
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.67
ACD/KOC (pH 7.4): 626.12
Polar Surface Area: 67 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 219.8±7.0 cm3

Click to predict properties on the Chemicalize site


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