ChemSpider 2D Image | N~2~-(trans-4-Aminocyclohexyl)-N~6~-(4-biphenylylmethyl)-9-cyclopentyl-9H-purine-2,6-diamine | C29H35N7

N2-(trans-4-Aminocyclohexyl)-N6-(4-biphenylylmethyl)-9-cyclopentyl-9H-purine-2,6-diamine

  • Molecular FormulaC29H35N7
  • Average mass481.635 Da
  • Monoisotopic mass481.295380 Da
  • ChemSpider ID24639168

  • 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)-N6-([1,1'-biphenyl]-4-ylmethyl)-9-cyclopentyl- [ACD/Index Name]
N2-(trans-4-Aminocyclohexyl)-N6-(4-biphenylylmethyl)-9-cyclopentyl-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-N6-(4-biphenylylmethyl)-9-cyclopentyl-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-(trans-4-Aminocyclohexyl)-N6-(4-biphénylylméthyl)-9-cyclopentyl-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.0±35.7 °C
Index of Refraction: 1.722
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 6.45
ACD/KOC (pH 5.5): 16.66
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 21.25
ACD/KOC (pH 7.4): 54.91
Polar Surface Area: 94 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 358.9±7.0 cm3

Click to predict properties on the Chemicalize site


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