ChemSpider 2D Image | 5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-(~13~C_4_)pyrimidinetrione | C713C4H16N2O3


  • Molecular FormulaC713C4H16N2O3
  • Average mass228.227 Da
  • Monoisotopic mass228.129517 Da
  • ChemSpider ID17345113
  • Non-standard isotope - Non-standard isotope

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione-2,4,5,6-13C4, 5-(2-methylpropyl)-5-(2-propen-1-yl)- [ACD/Index Name]
5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-(13C4)pyrimidinetrione [ACD/IUPAC Name]
5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-(13C4)pyrimidinetrione [French] [ACD/IUPAC Name]
5-Allyl-5-isobutyl-2,4,6(1H,3H,5H)-(13C4)pyrimidintrion [German] [ACD/IUPAC Name]
56096-89-0 [RN]
5-Allyl-5-isobutylbarbituric acid-ring-13C4
957494-04-1 [RN]

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


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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.470
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 206.6±3.0 cm3

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