ChemSpider 2D Image | 2-Fluoro-4-methyl-N-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]aniline | C11H13FN4

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

  • Molecular FormulaC11H13FN4
  • Average mass220.246 Da
  • Monoisotopic mass220.112427 Da
  • ChemSpider ID48931134

More details:

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

1H-1,2,4-Triazole-5-methanamine, N-(2-fluoro-4-methylphenyl)-1-methyl- [ACD/Index Name]
2-Fluor-4-methyl-N-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]anilin [German] [ACD/IUPAC Name]
2-Fluoro-4-methyl-N-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]aniline [ACD/IUPAC Name]
2-Fluoro-4-méthyl-N-[(1-méthyl-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: 1.2±0.1 g/cm3
Boiling Point: 406.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.6±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 60.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.42
ACD/KOC (pH 5.5): 210.82
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 212.13
Polar Surface Area: 43 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 178.8±7.0 cm3

Click to predict properties on the Chemicalize site


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