ChemSpider 2D Image | 2-(Cyclohexylmethyl)-5-phenyl-2H-1,2,3-triazole-4-carbonitrile | C16H18N4

2-(Cyclohexylmethyl)-5-phenyl-2H-1,2,3-triazole-4-carbonitrile

  • Molecular FormulaC16H18N4
  • Average mass266.341 Da
  • Monoisotopic mass266.153137 Da
  • ChemSpider ID21152027

More details:

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

2-(Cyclohexylmethyl)-5-phenyl-2H-1,2,3-triazol-4-carbonitril [German] [ACD/IUPAC Name]
2-(Cyclohexylmethyl)-5-phenyl-2H-1,2,3-triazole-4-carbonitrile [ACD/IUPAC Name]
2-(Cyclohexylméthyl)-5-phényl-2H-1,2,3-triazole-4-carbonitrile [French] [ACD/IUPAC Name]
2H-1,2,3-Triazole-4-carbonitrile, 2-(cyclohexylmethyl)-5-phenyl- [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: 482.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.7±29.3 °C
Index of Refraction: 1.648
Molar Refractivity: 80.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.25
ACD/KOC (pH 5.5): 2803.97
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.25
ACD/KOC (pH 7.4): 2803.97
Polar Surface Area: 55 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 221.6±7.0 cm3

Click to predict properties on the Chemicalize site


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