ChemSpider 2D Image | 5-(4-Chlorobenzyl)-4-[(4-methylbenzyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-one | C17H17ClN4O

5-(4-Chlorobenzyl)-4-[(4-methylbenzyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC17H17ClN4O
  • Average mass328.796 Da
  • Monoisotopic mass328.109100 Da
  • ChemSpider ID21133958

More details:

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

3H-1,2,4-Triazol-3-one, 5-[(4-chlorophenyl)methyl]-2,4-dihydro-4-[[(4-methylphenyl)methyl]amino]- [ACD/Index Name]
5-(4-Chlorbenzyl)-4-[(4-methylbenzyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
5-(4-Chlorobenzyl)-4-[(4-methylbenzyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
5-(4-Chlorobenzyl)-4-[(4-méthylbenzyl)amino]-2,4-dihydro-3H-1,2,4-triazol-3-one [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: 573.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 300.3±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 231.72
ACD/KOC (pH 5.5): 1705.79
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 211.96
ACD/KOC (pH 7.4): 1560.34
Polar Surface Area: 63 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 251.4±7.0 cm3

Click to predict properties on the Chemicalize site


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