ChemSpider 2D Image | 6-[Hydroxy(nitroso)amino]-9H-purine 3-oxide | C5H4N6O3

6-[Hydroxy(nitroso)amino]-9H-purine 3-oxide

  • Molecular FormulaC5H4N6O3
  • Average mass196.124 Da
  • Monoisotopic mass196.034485 Da
  • ChemSpider ID96501101

More details:

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

3-Oxyde de 6-[hydroxy(nitroso)amino]-9H-purine [French] [ACD/IUPAC Name]
6-[Hydroxy(nitroso)amino]-9H-purin-3-oxid [German] [ACD/IUPAC Name]
6-[Hydroxy(nitroso)amino]-9H-purine 3-oxide [ACD/IUPAC Name]
9H-Purin-6-amine, N-hydroxy-N-nitroso-, 3-oxide [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 730.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.3±35.7 °C
Index of Refraction: 1.966
Molar Refractivity: 43.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -6.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 136.6±7.0 dyne/cm
Molar Volume: 88.4±7.0 cm3

Click to predict properties on the Chemicalize site


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