ChemSpider 2D Image | 7-Hexadecyl-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione | C30H47N5O2

7-Hexadecyl-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID3102508

More details:

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

1H-Purine-2,6-dione, 7-hexadecyl-3,7-dihydro-3-methyl-8-[[(4-methylphenyl)methyl]amino]- [ACD/Index Name]
7-Hexadecyl-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-Hexadecyl-3-methyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-Hexadécyl-3-méthyl-8-[(4-méthylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-hexadecyl-3-methyl-8-{[(4-methylphenyl)methyl]amino}-1,3,7-trihydropurine-2, 6-dione

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: 1.577
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.63
ACD/LogD (pH 5.5): 9.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3771252.75
ACD/LogD (pH 7.4): 9.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3748889.25
Polar Surface Area: 79 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 457.0±7.0 cm3

Click to predict properties on the Chemicalize site


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