ChemSpider 2D Image | N-{[1-(3,4-Difluorophenyl)-1H-1,2,4-triazol-5-yl]methyl}-N-ethylethanamine | C13H16F2N4

N-{[1-(3,4-Difluorophenyl)-1H-1,2,4-triazol-5-yl]methyl}-N-ethylethanamine

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID59711011

More details:

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

1H-1,2,4-Triazole-5-methanamine, 1-(3,4-difluorophenyl)-N,N-diethyl- [ACD/Index Name]
N-{[1-(3,4-Difluorophenyl)-1H-1,2,4-triazol-5-yl]methyl}-N-ethylethanamine [ACD/IUPAC Name]
N-{[1-(3,4-Difluorophényl)-1H-1,2,4-triazol-5-yl]méthyl}-N-éthyléthanamine [French] [ACD/IUPAC Name]
N-{[1-(3,4-Difluorphenyl)-1H-1,2,4-triazol-5-yl]methyl}-N-ethylethanamin [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 372.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 178.8±30.7 °C
Index of Refraction: 1.556
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 63.20
Polar Surface Area: 34 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 220.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement