ChemSpider 2D Image | 2-[(3-Nitro-1,2,4-triazolidin-1-yl)methyl]-1,3,4-oxadiazolidine | C5H12N6O3

2-[(3-Nitro-1,2,4-triazolidin-1-yl)methyl]-1,3,4-oxadiazolidine

  • Molecular FormulaC5H12N6O3
  • Average mass204.187 Da
  • Monoisotopic mass204.097092 Da
  • ChemSpider ID111236628

More details:

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

1,3,4-Oxadiazolidine, 2-[(3-nitro-1,2,4-triazolidin-1-yl)methyl]- [ACD/Index Name]
2-[(3-Nitro-1,2,4-triazolidin-1-yl)methyl]-1,3,4-oxadiazolidin [German] [ACD/IUPAC Name]
2-[(3-Nitro-1,2,4-triazolidin-1-yl)methyl]-1,3,4-oxadiazolidine [ACD/IUPAC Name]
2-[(3-Nitro-1,2,4-triazolidin-1-yl)méthyl]-1,3,4-oxadiazolidine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 401.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.4±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.52
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 131.8±5.0 cm3

Click to predict properties on the Chemicalize site


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