ChemSpider 2D Image | 8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione | C31H41N5O2

8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID3128558

More details:

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

1H-Purine-2,6-dione, 8-[[bis(phenylmethyl)amino]methyl]-3,7-dihydro-1,3-dimethyl-7-nonyl- [ACD/Index Name]
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(Dibenzylamino)methyl]-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(Dibenzylamino)méthyl]-1,3-diméthyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 655.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.5±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 228871.88
ACD/KOC (pH 5.5): 174879.05
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 667799.38
ACD/KOC (pH 7.4): 510259.78
Polar Surface Area: 62 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 456.7±7.0 cm3

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