ChemSpider 2D Image | Methylliberine | C9H12N4O3

Methylliberine

  • Molecular FormulaC9H12N4O3
  • Average mass224.217 Da
  • Monoisotopic mass224.090942 Da
  • ChemSpider ID43515875

More details:






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

1H-Purine-6,8-dione, 7,9-dihydro-2-methoxy-1,7,9-trimethyl- [ACD/Index Name]
2-Methoxy-1,7,9-trimethyl-7,9-dihydro-1H-purin-6,8-dion [German] [ACD/IUPAC Name]
2-Methoxy-1,7,9-trimethyl-7,9-dihydro-1H-purine-6,8-dione [ACD/IUPAC Name]
2-Méthoxy-1,7,9-triméthyl-7,9-dihydro-1H-purine-6,8-dione [French] [ACD/IUPAC Name]
Methylliberine [Wiki]
2-methoxy-1,7,9-trimethylpurine-6,8-dione
51168-26-4 [RN]
O(2),1,7,9-tetramethylurate
O(2),1,7,9-tetramethyluric acid
O(2),1,7,9-tetramethyluric acid|methylliberine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 283.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 125.3±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 56.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.69
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.48
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.48
Polar Surface Area: 65 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 155.2±7.0 cm3

Click to predict properties on the Chemicalize site





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