ChemSpider 2D Image | 1-(~2~H_3_)Methyl-1H-1,2,4-triazole | C3H2D3N3

1-(2H3)Methyl-1H-1,2,4-triazole

  • Molecular FormulaC3H2D3N3
  • Average mass86.110 Da
  • Monoisotopic mass86.067177 Da
  • ChemSpider ID67174521

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-(2H3)Methyl-1H-1,2,4-triazole [ACD/IUPAC Name]
1-(2H3)Méthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-(methyl-d3)- [ACD/Index Name]
(1-trideuteromethyl)-1h-1,2,4-triazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 175.3±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 59.8±22.6 °C
Index of Refraction: 1.582
Molar Refractivity: 23.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.55
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.68
Polar Surface Area: 31 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 71.0±7.0 cm3

Click to predict properties on the Chemicalize site


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