ChemSpider 2D Image | (3,5-Diamino-1H-1,2,4-triazol-1-yl)methyl nitrate | C3H6N6O3

(3,5-Diamino-1H-1,2,4-triazol-1-yl)methyl nitrate

  • Molecular FormulaC3H6N6O3
  • Average mass174.118 Da
  • Monoisotopic mass174.050140 Da
  • ChemSpider ID67171658

More details:

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

(3,5-Diamino-1H-1,2,4-triazol-1-yl)methyl nitrate [ACD/IUPAC Name]
(3,5-Diamino-1H-1,2,4-triazol-1-yl)methylnitrat [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-methanol, 3,5-diamino-, nitrate (ester) [ACD/Index Name]
Nitrate de (3,5-diamino-1H-1,2,4-triazol-1-yl)méthyle [French] [ACD/IUPAC Name]
3,5-diamino-1-methyl-1,2,4-triazole nitrate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 488.1±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±29.3 °C
Index of Refraction: 1.848
Molar Refractivity: 34.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.65
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.89
Polar Surface Area: 138 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 139.6±7.0 dyne/cm
Molar Volume: 78.0±7.0 cm3

Click to predict properties on the Chemicalize site


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