ChemSpider 2D Image | 1-(6-Chloro-9H-purin-9-yl)-1,3-propanediol | C8H9ClN4O2

1-(6-Chloro-9H-purin-9-yl)-1,3-propanediol

  • Molecular FormulaC8H9ClN4O2
  • Average mass228.636 Da
  • Monoisotopic mass228.041397 Da
  • ChemSpider ID67026812

More details:

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

1-(6-Chlor-9H-purin-9-yl)-1,3-propandiol [German] [ACD/IUPAC Name]
1-(6-Chloro-9H-purin-9-yl)-1,3-propanediol [ACD/IUPAC Name]
1-(6-Chloro-9H-purin-9-yl)-1,3-propanediol [French] [ACD/IUPAC Name]
1,3-Propanediol, 1-(6-chloro-9H-purin-9-yl)- [ACD/Index Name]
6-chloro-9-(1,3-dihydroxypropyl)purine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 505.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 259.6±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 53.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.73
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.73
Polar Surface Area: 84 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 133.2±7.0 cm3

Click to predict properties on the Chemicalize site


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