ChemSpider 2D Image | 1-Methyl-1H-1,2,3-triazole-5-carbonitrile | C4H4N4

1-Methyl-1H-1,2,3-triazole-5-carbonitrile

  • Molecular FormulaC4H4N4
  • Average mass108.101 Da
  • Monoisotopic mass108.043594 Da
  • ChemSpider ID45531634

More details:

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

1142927-03-4 [RN]
1H-1,2,3-Triazole-5-carbonitrile, 1-methyl- [ACD/Index Name]
1-Methyl-1H-1,2,3-triazol-5-carbonitril [German] [ACD/IUPAC Name]
1-Methyl-1H-1,2,3-triazole-5-carbonitrile [ACD/IUPAC Name]
1-Méthyl-1H-1,2,3-triazole-5-carbonitrile [French] [ACD/IUPAC Name]
MFCD28653945

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

Density: 1.3±0.1 g/cm3
Boiling Point: 266.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 115.1±25.1 °C
Index of Refraction: 1.637
Molar Refractivity: 30.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.33
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.33
Polar Surface Area: 55 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 84.2±7.0 cm3

Click to predict properties on the Chemicalize site


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