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

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

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID68003340

More details:

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

1H-1,2,3-Triazole-5-methanamine, N-[2-(3,4-difluorophenyl)ethyl]-1-ethyl- [ACD/Index Name]
2-(3,4-Difluorophenyl)-N-[(1-ethyl-1H-1,2,3-triazol-5-yl)methyl]ethanamine [ACD/IUPAC Name]
2-(3,4-Difluorophényl)-N-[(1-éthyl-1H-1,2,3-triazol-5-yl)méthyl]éthanamine [French] [ACD/IUPAC Name]
2-(3,4-Difluorphenyl)-N-[(1-ethyl-1H-1,2,3-triazol-5-yl)methyl]ethanamin [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: 387.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.3±30.7 °C
Index of Refraction: 1.566
Molar Refractivity: 70.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 62.96
Polar Surface Area: 43 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 214.8±7.0 cm3

Click to predict properties on the Chemicalize site


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