ChemSpider 2D Image | (~2~H_4_)-3,7-Dihydro-6H-purin-6-one | C5D4N4O

(2H4)-3,7-Dihydro-6H-purin-6-one

  • Molecular FormulaC5D4N4O
  • Average mass140.136 Da
  • Monoisotopic mass140.063614 Da
  • ChemSpider ID114951960
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H4)-3,7-Dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
(2H4)-3,7-Dihydro-6H-purin-6-one [ACD/IUPAC Name]
(2H4)-3,7-Dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-2,8-d2, 3,7-dihydro-d2- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 533.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.4±27.9 °C
Index of Refraction: 1.903
Molar Refractivity: 33.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.01
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.04
Polar Surface Area: 70 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 91.4±7.0 dyne/cm
Molar Volume: 72.0±7.0 cm3

Click to predict properties on the Chemicalize site






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