ChemSpider 2D Image | N-(2,3-Difluoro-4-methylbenzyl)-1-(4-methyl-4H-1,2,4-triazol-3-yl)ethanamine | C13H16F2N4

N-(2,3-Difluoro-4-methylbenzyl)-1-(4-methyl-4H-1,2,4-triazol-3-yl)ethanamine

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID62734600

More details:

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

4H-1,2,4-Triazole-3-methanamine, N-[(2,3-difluoro-4-methylphenyl)methyl]-α,4-dimethyl- [ACD/Index Name]
N-(2,3-Difluor-4-methylbenzyl)-1-(4-methyl-4H-1,2,4-triazol-3-yl)ethanamin [German] [ACD/IUPAC Name]
N-(2,3-Difluoro-4-methylbenzyl)-1-(4-methyl-4H-1,2,4-triazol-3-yl)ethanamine [ACD/IUPAC Name]
N-(2,3-Difluoro-4-méthylbenzyl)-1-(4-méthyl-4H-1,2,4-triazol-3-yl)éthanamine [French] [ACD/IUPAC Name]
(2,3-difluoro-4-methylbenzyl)[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 387.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 187.9±30.7 °C
Index of Refraction: 1.568
Molar Refractivity: 69.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 148.70
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.62
ACD/KOC (pH 7.4): 270.56
Polar Surface Area: 43 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 213.0±7.0 cm3

Click to predict properties on the Chemicalize site


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