ChemSpider 2D Image | 1,8-Bis(6-chloro-9H-purin-9-yl)octane | C18H20Cl2N8

1,8-Bis(6-chloro-9H-purin-9-yl)octane

  • Molecular FormulaC18H20Cl2N8
  • Average mass419.311 Da
  • Monoisotopic mass418.118805 Da
  • ChemSpider ID28683994

More details:

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

1,8-Bis(6-chloro-9H-purin-9-yl)octane
139120-35-7 [RN]
9,9'-(1,8-Octandiyl)bis(6-chlor-9H-purin) [German] [ACD/IUPAC Name]
9,9'-(1,8-Octanediyl)bis(6-chloro-9H-purine) [ACD/IUPAC Name]
9,9'-(1,8-Octanediyl)bis(6-chloro-9H-purine) [French] [ACD/IUPAC Name]
9H-Purine, 9,9'-(1,8-octanediyl)bis[6-chloro- [ACD/Index Name]
6-CHLORO-9-[8-(6-CHLOROPURIN-9-YL)OCTYL]PURINE
9,9'-(Octane-1,8-diyl)bis(6-chloro-9H-purine)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 624.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±34.3 °C
Index of Refraction: 1.733
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.51
ACD/KOC (pH 5.5): 1241.73
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.52
ACD/KOC (pH 7.4): 1241.87
Polar Surface Area: 87 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 276.6±7.0 cm3

Click to predict properties on the Chemicalize site


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