ChemSpider 2D Image | N-(4,5-Dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro-4H-1,2,3-triazol-4-amine | C4HN11O8

N-(4,5-Dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro-4H-1,2,3-triazol-4-amine

  • Molecular FormulaC4HN11O8
  • Average mass331.120 Da
  • Monoisotopic mass331.000946 Da
  • ChemSpider ID32742195

More details:

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

4H-1,2,3-Triazol-4-amine, N-(4,5-dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro- [ACD/Index Name]
N-(4,5-Dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro-4H-1,2,3-triazol-4-amin [German] [ACD/IUPAC Name]
N-(4,5-Dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro-4H-1,2,3-triazol-4-amine [ACD/IUPAC Name]
N-(4,5-Dinitro-4H-1,2,3-triazol-4-yl)-4,5-dinitro-4H-1,2,3-triazol-4-amine [French] [ACD/IUPAC Name]
[bis-dinitrotriazole]amine
BDNTA
Bis(dinitrotriazole)amine

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

Density: 3.1±0.1 g/cm3
Boiling Point: 669.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 2.265
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.09
ACD/KOC (pH 5.5): 668.46
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.09
ACD/KOC (pH 7.4): 668.46
Polar Surface Area: 269 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 331.7±7.0 dyne/cm
Molar Volume: 105.2±7.0 cm3

Click to predict properties on the Chemicalize site


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