ChemSpider 2D Image | Phenobarbital, C-13 | C913C3H12N2O3

Phenobarbital, C-13

  • Molecular FormulaC913C3H12N2O3
  • Average mass235.213 Da
  • Monoisotopic mass235.094864 Da
  • ChemSpider ID64854086

  • 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-2,4,5-13C3, 5-ethyl-5-phenyl- [ACD/Index Name]
52947-04-3 [RN]
5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-(2,4,5-13C3)pyrimidinetrione [ACD/IUPAC Name]
5-Éthyl-5-phényl-2,4,6(1H,3H,5H)-(2,4,5-13C3)pyrimidinetrione [French] [ACD/IUPAC Name]
5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-(2,4,5-13C3)pyrimidintrion [German] [ACD/IUPAC Name]
Phenobarbital, C-13

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

5I8VG6X2HS [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 23.5±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 188.2±3.0 cm3

Click to predict properties on the Chemicalize site


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