ChemSpider 2D Image | N~2~-(trans-4-Aminocyclohexyl)-9-isopropyl-N~6~-[(6-phenyl-3-pyridinyl)methyl]-9H-purine-2,6-diamine | C26H32N8

N2-(trans-4-Aminocyclohexyl)-9-isopropyl-N6-[(6-phenyl-3-pyridinyl)methyl]-9H-purine-2,6-diamine

  • Molecular FormulaC26H32N8
  • Average mass456.586 Da
  • Monoisotopic mass456.274994 Da
  • ChemSpider ID24630312

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

9H-Purine-2,6-diamine, N2-(trans-4-aminocyclohexyl)-9-(1-methylethyl)-N6-[(6-phenyl-3-pyridinyl)methyl]- [ACD/Index Name]
N2-(trans-4-Aminocyclohexyl)-9-isopropyl-N6-[(6-phenyl-3-pyridinyl)methyl]-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-9-isopropyl-N6-[(6-phenyl-3-pyridinyl)methyl]-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-9-isopropyl-N6-[(6-phényl-3-pyridinyl)méthyl]-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
N2-(4-aminocyclohexyl)-9-isopropyl-N6-((6-phenylpyridin-3-yl)methyl)-9H-purine-2,6-diamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.9±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 7.32
Polar Surface Area: 107 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

Click to predict properties on the Chemicalize site


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