ChemSpider 2D Image | 2,5-Difluoro-N-[(1-propyl-1H-1,2,4-triazol-5-yl)methyl]aniline | C12H14F2N4

2,5-Difluoro-N-[(1-propyl-1H-1,2,4-triazol-5-yl)methyl]aniline

  • Molecular FormulaC12H14F2N4
  • Average mass252.263 Da
  • Monoisotopic mass252.118652 Da
  • ChemSpider ID48935399

More details:

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

1H-1,2,4-Triazole-5-methanamine, N-(2,5-difluorophenyl)-1-propyl- [ACD/Index Name]
2,5-Difluor-N-[(1-propyl-1H-1,2,4-triazol-5-yl)methyl]anilin [German] [ACD/IUPAC Name]
2,5-Difluoro-N-[(1-propyl-1H-1,2,4-triazol-5-yl)methyl]aniline [ACD/IUPAC Name]
2,5-Difluoro-N-[(1-propyl-1H-1,2,4-triazol-5-yl)méthyl]aniline [French] [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: 419.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.5±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 65.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.80
ACD/KOC (pH 5.5): 422.73
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.96
ACD/KOC (pH 7.4): 424.80
Polar Surface Area: 43 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 38.3±7.0 dyne/cm
Molar Volume: 198.7±7.0 cm3

Click to predict properties on the Chemicalize site


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