ChemSpider 2D Image | N~2~-[(1S,2S)-2-Aminocyclohexyl]-N~6~-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine | C19H24ClN7

N2-[(1S,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine

  • Molecular FormulaC19H24ClN7
  • Average mass385.894 Da
  • Monoisotopic mass385.178162 Da
  • ChemSpider ID76792586

  • 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-[(1S,2S)-2-aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl- [ACD/Index Name]
N2-[(1S,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine [ACD/IUPAC Name]
N2-[(1S,2S)-2-Aminocyclohexyl]-N6-(3-chlorophényl)-9-éthyl-9H-purine-2,6-diamine [French] [ACD/IUPAC Name]
N2-[(1S,2S)-2-Aminocyclohexyl]-N6-(3-chlorphenyl)-9-ethyl-9H-purin-2,6-diamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 618.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.61
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 35.71
Polar Surface Area: 94 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


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