ChemSpider 2D Image | 2-[3-(3,4-Difluorophenyl)-1-propyl-1H-1,2,4-triazol-5-yl]ethanamine | C13H16F2N4

2-[3-(3,4-Difluorophenyl)-1-propyl-1H-1,2,4-triazol-5-yl]ethanamine

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID62759603

More details:

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

1H-1,2,4-Triazole-5-ethanamine, 3-(3,4-difluorophenyl)-1-propyl- [ACD/Index Name]
2-[3-(3,4-Difluorophenyl)-1-propyl-1H-1,2,4-triazol-5-yl]ethanamine [ACD/IUPAC Name]
2-[3-(3,4-Difluorophényl)-1-propyl-1H-1,2,4-triazol-5-yl]éthanamine [French] [ACD/IUPAC Name]
2-[3-(3,4-Difluorphenyl)-1-propyl-1H-1,2,4-triazol-5-yl]ethanamin [German] [ACD/IUPAC 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: 421.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 208.9±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.25
ACD/KOC (pH 7.4): 19.47
Polar Surface Area: 57 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 206.8±7.0 cm3

Click to predict properties on the Chemicalize site


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