ChemSpider 2D Image | 5-{3,4,5-Tris[(~13~C)methyloxy]benzyl}-2,4-pyrimidinediamine | C1113C3H18N4O3


  • Molecular FormulaC1113C3H18N4O3
  • Average mass293.296 Da
  • Monoisotopic mass293.147949 Da
  • ChemSpider ID35467444
  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-Pyrimidinediamine, 5-[[3,4,5-tris(methyl-13C-oxy)phenyl]methyl]- [ACD/Index Name]
5-{3,4,5-Tris[(13C)methyloxy]benzyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-{3,4,5-Tris[(13C)methyloxy]benzyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{3,4,5-Tris[(13C)méthyloxy]benzyl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1189970-95-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 80.3±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: 31.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

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