ChemSpider 2D Image | 7-Hexyl-7H-[1,2,4]triazolo[3,4-i]purine | C12H16N6

7-Hexyl-7H-[1,2,4]triazolo[3,4-i]purine

  • Molecular FormulaC12H16N6
  • Average mass244.296 Da
  • Monoisotopic mass244.143646 Da
  • ChemSpider ID58109660

More details:

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

7H-1,2,4-Triazolo[3,4-i]purine, 7-hexyl- [ACD/Index Name]
7-Hexyl-7H-[1,2,4]triazolo[3,4-i]purin [German] [ACD/IUPAC Name]
7-Hexyl-7H-[1,2,4]triazolo[3,4-i]purine [ACD/IUPAC Name]
7-Hexyl-7H-[1,2,4]triazolo[3,4-i]purine [French] [ACD/IUPAC 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: 1.708
Molar Refractivity: 70.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.39
ACD/KOC (pH 5.5): 222.89
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.39
ACD/KOC (pH 7.4): 222.89
Polar Surface Area: 61 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 179.9±7.0 cm3

Click to predict properties on the Chemicalize site


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