ChemSpider 2D Image | N,3-Dinitro-1H-1,2,4-triazol-5-amine | C2H2N6O4

N,3-Dinitro-1H-1,2,4-triazol-5-amine

  • Molecular FormulaC2H2N6O4
  • Average mass174.075 Da
  • Monoisotopic mass174.013748 Da
  • ChemSpider ID67162883

More details:

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

1H-1,2,4-Triazol-5-amine, N,3-dinitro- [ACD/Index Name]
N,3-Dinitro-1H-1,2,4-triazol-5-amin [German] [ACD/IUPAC Name]
N,3-Dinitro-1H-1,2,4-triazol-5-amine [ACD/IUPAC Name]
N,3-Dinitro-1H-1,2,4-triazol-5-amine [French] [ACD/IUPAC Name]
5-nitroamino-3-nitro-1,2,4-triazole

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

Density: 2.1±0.1 g/cm3
Boiling Point: 567.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±25.4 °C
Index of Refraction: 1.783
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 154.5±3.0 dyne/cm
Molar Volume: 81.8±3.0 cm3

Click to predict properties on the Chemicalize site


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