ChemSpider 2D Image | 7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione | C20H24ClN5O4

7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC20H24ClN5O4
  • Average mass433.889 Da
  • Monoisotopic mass433.151672 Da
  • ChemSpider ID34564288

More details:

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

1H-Purine-2,6-dione, 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-8-(1-piperidinyl)- [ACD/Index Name]
7-[3-(2-Chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[3-(2-Chlorophénoxy)-2-hydroxypropyl]-3-méthyl-8-(1-pipéridinyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
7-[3-(2-Chlorphenoxy)-2-hydroxypropyl]-3-methyl-8-(1-piperidinyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
2061351-57-1 [RN]
7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.36
ACD/KOC (pH 5.5): 473.43
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.25
ACD/KOC (pH 7.4): 472.03
Polar Surface Area: 100 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 288.9±7.0 cm3

Click to predict properties on the Chemicalize site


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