ChemSpider 2D Image | 3-(3-Nitro-1,2,4-triazolidin-1-yl)alaninamide | C5H12N6O3

3-(3-Nitro-1,2,4-triazolidin-1-yl)alaninamide

  • Molecular FormulaC5H12N6O3
  • Average mass204.187 Da
  • Monoisotopic mass204.097092 Da
  • ChemSpider ID111535673

More details:

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

1,2,4-Triazolidine-1-propanamide, α-amino-3-nitro- [ACD/Index Name]
3-(3-Nitro-1,2,4-triazolidin-1-yl)alaninamid [German] [ACD/IUPAC Name]
3-(3-Nitro-1,2,4-triazolidin-1-yl)alaninamide [ACD/IUPAC Name]
3-(3-Nitro-1,2,4-triazolidin-1-yl)alaninamide [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: 494.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.9±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 47.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 133.5±5.0 cm3

Click to predict properties on the Chemicalize site


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