ChemSpider 2D Image | 6-Chloro-9-[3-(dimethylamino)phenyl]-7,9-dihydro-8H-purin-8-one | C13H12ClN5O

6-Chloro-9-[3-(dimethylamino)phenyl]-7,9-dihydro-8H-purin-8-one

  • Molecular FormulaC13H12ClN5O
  • Average mass289.720 Da
  • Monoisotopic mass289.073029 Da
  • ChemSpider ID28431097

More details:

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

6-Chlor-9-[3-(dimethylamino)phenyl]-7,9-dihydro-8H-purin-8-on [German] [ACD/IUPAC Name]
6-Chloro-9-[3-(dimethylamino)phenyl]-7,9-dihydro-8H-purin-8-one [ACD/IUPAC Name]
6-Chloro-9-[3-(diméthylamino)phényl]-7,9-dihydro-8H-purin-8-one [French] [ACD/IUPAC Name]
8H-Purin-8-one, 6-chloro-9-[3-(dimethylamino)phenyl]-7,9-dihydro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 27.15
ACD/KOC (pH 5.5): 342.48
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.28
ACD/KOC (pH 7.4): 444.98
Polar Surface Area: 61 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


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