ChemSpider 2D Image | 1-Benzyl-4-[4-(4-methoxyphenyl)-1,3-butadiyn-1-yl]-1H-1,2,3-triazole | C20H15N3O

1-Benzyl-4-[4-(4-methoxyphenyl)-1,3-butadiyn-1-yl]-1H-1,2,3-triazole

  • Molecular FormulaC20H15N3O
  • Average mass313.353 Da
  • Monoisotopic mass313.121521 Da
  • ChemSpider ID30659327

More details:

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

1-Benzyl-4-[4-(4-methoxyphenyl)-1,3-butadiin-1-yl]-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-Benzyl-4-[4-(4-methoxyphenyl)-1,3-butadiyn-1-yl]-1H-1,2,3-triazole [ACD/IUPAC Name]
1-Benzyl-4-[4-(4-méthoxyphényl)-1,3-butadiyn-1-yl]-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole, 4-[4-(4-methoxyphenyl)-1,3-butadiyn-1-yl]-1-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1925.98
ACD/KOC (pH 5.5): 7811.79
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1925.98
ACD/KOC (pH 7.4): 7811.79
Polar Surface Area: 40 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 294.8±7.0 cm3

Click to predict properties on the Chemicalize site


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