ChemSpider 2D Image | 4-Benzyl-2-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C16H15N3O

4-Benzyl-2-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC16H15N3O
  • Average mass265.310 Da
  • Monoisotopic mass265.121521 Da
  • ChemSpider ID24741629

More details:

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

3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(4-methylphenyl)-4-(phenylmethyl)- [ACD/Index Name]
4-Benzyl-2-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-Benzyl-2-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-Benzyl-2-(4-méthylphényl)-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: 1.2±0.1 g/cm3
Boiling Point: 411.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.7±29.6 °C
Index of Refraction: 1.624
Molar Refractivity: 80.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.84
ACD/KOC (pH 5.5): 560.69
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.51
ACD/KOC (pH 7.4): 568.38
Polar Surface Area: 36 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 227.4±7.0 cm3

Click to predict properties on the Chemicalize site


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