ChemSpider 2D Image | 7-[3-(3,4-Dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione | C21H29N5O4

7-[3-(3,4-Dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H29N5O4
  • Average mass415.486 Da
  • Monoisotopic mass415.221954 Da
  • ChemSpider ID17920517

More details:

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

1H-Purine-2,6-dione, 7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3,7-dihydro-1,3-dimethyl-8-(propylamino)- [ACD/Index Name]
7-[3-(3,4-Dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[3-(3,4-Dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[3-(3,4-Diméthylphénoxy)-2-hydroxypropyl]-1,3-diméthyl-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-(3-(3,4-dimethylphenoxy)-2-hydroxypropyl)-1,3-dimethyl-8-(propylamino)-1H-purine-2,6(3H,7H)-dione
7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione
919021-04-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.5±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 112.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.80
ACD/KOC (pH 5.5): 945.50
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.83
ACD/KOC (pH 7.4): 945.74
Polar Surface Area: 100 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 320.7±7.0 cm3

Click to predict properties on the Chemicalize site


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