ChemSpider 2D Image | 1-Butyl-3-propyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione | C12H20N4O2

1-Butyl-3-propyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione

  • Molecular FormulaC12H20N4O2
  • Average mass252.313 Da
  • Monoisotopic mass252.158630 Da
  • ChemSpider ID23195584

More details:

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

1-Butyl-3-propyl-3,4,5,7-tetrahydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Butyl-3-propyl-3,4,5,7-tetrahydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Butyl-3-propyl-3,4,5,7-tétrahydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 1-butyl-3,4,5,9-tetrahydro-3-propyl- [ACD/Index Name]
1-Butyl-3-propyl-3,4,5,7-tetrahydro-purine-2,6-dione
XT-44

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 213.4±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 68.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 65 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

Click to predict properties on the Chemicalize site


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