ChemSpider 2D Image | 1-Benzyl-4-(4-phenyl-1,3-butadiyn-1-yl)-1H-1,2,3-triazole | C19H13N3

1-Benzyl-4-(4-phenyl-1,3-butadiyn-1-yl)-1H-1,2,3-triazole

  • Molecular FormulaC19H13N3
  • Average mass283.327 Da
  • Monoisotopic mass283.110962 Da
  • ChemSpider ID28578990

More details:

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

1-Benzyl-4-(4-phenyl-1,3-butadiin-1-yl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-Benzyl-4-(4-phenyl-1,3-butadiyn-1-yl)-1H-1,2,3-triazole [ACD/IUPAC Name]
1-Benzyl-4-(4-phényl-1,3-butadiyn-1-yl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 4-(4-phenyl-1,3-butadiyn-1-yl)-1-(phenylmethyl)- [ACD/Index Name]
1-Benzyl-4-(4-phenylbuta-1,3-diyn-1-yl)-1H-1,2,3-triazole
920282-94-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.2±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 92.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2324.46
ACD/KOC (pH 5.5): 8937.36
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2324.46
ACD/KOC (pH 7.4): 8937.36
Polar Surface Area: 31 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 273.1±7.0 cm3

Click to predict properties on the Chemicalize site


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