ChemSpider 2D Image | 1,3-Dimethyl(2-~13~C,1,3-~15~N_2_)-3,7-dihydro-1H-purine-2,6-dione | C613CH8N215N2O2

1,3-Dimethyl(2-13C,1,3-15N2)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC613CH8N215N2O2
  • Average mass183.143 Da
  • Monoisotopic mass183.062149 Da
  • ChemSpider ID48063089
  • Non-standard isotope - Non-standard isotope


More details:






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

1,3-Dimethyl(2-13C,1,3-15N2)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1,3-Dimethyl(2-13C,1,3-15N2)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1,3-Diméthyl(2-13C,1,3-15N2)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione-2-13C-1,3-15N2, 3,7-dihydro-1,3-dimethyl- [ACD/Index Name]
84718-95-6 [RN]
Theophylline-1,3-15N2-2-13C

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 43.2±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: 17.1±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 122.9±3.0 cm3

Click to predict properties on the Chemicalize site






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