ChemSpider 2D Image | 1-(2,4-Difluorophenyl)-N-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]methanamine | C13H16F2N4

1-(2,4-Difluorophenyl)-N-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]methanamine

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID48937582

More details:

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

1-(2,4-Difluorophenyl)-N-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]methanamine [ACD/IUPAC Name]
1-(2,4-Difluorophényl)-N-[(1-isopropyl-1H-1,2,4-triazol-5-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1-(2,4-Difluorphenyl)-N-[(1-isopropyl-1H-1,2,4-triazol-5-yl)methyl]methanamin [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-5-methanamine, N-[(2,4-difluorophenyl)methyl]-1-(1-methylethyl)- [ACD/Index 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: 384.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.2±30.7 °C
Index of Refraction: 1.567
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 75.69
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.92
ACD/KOC (pH 7.4): 203.81
Polar Surface Area: 43 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 213.9±7.0 cm3

Click to predict properties on the Chemicalize site


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