ChemSpider 2D Image | 1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorobenzyl)-N-(4-pyridinylmethyl)methanamine | C18H20FN5

1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorobenzyl)-N-(4-pyridinylmethyl)methanamine

  • Molecular FormulaC18H20FN5
  • Average mass325.383 Da
  • Monoisotopic mass325.170288 Da
  • ChemSpider ID29581210

More details:

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

1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorbenzyl)-N-(4-pyridinylmethyl)methanamin [German] [ACD/IUPAC Name]
1-(1-Ethyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorobenzyl)-N-(4-pyridinylmethyl)methanamine [ACD/IUPAC Name]
1-(1-Éthyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorobenzyl)-N-(4-pyridinylméthyl)méthanamine [French] [ACD/IUPAC Name]
4-Pyridinemethanamine, N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]
1-(1-ethyl-1H-1,2,4-triazol-5-yl)-N-(4-fluorobenzyl)-N-(pyridin-4-ylmethyl)methanamine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 484.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 247.0±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 94.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 29.33
ACD/KOC (pH 5.5): 349.44
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.22
ACD/KOC (pH 7.4): 514.87
Polar Surface Area: 47 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 274.5±7.0 cm3

Click to predict properties on the Chemicalize site


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