ChemSpider 2D Image | 3-[3-(Cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-isopropyl-3H-purin-6-amine | C22H29N5O2

3-[3-(Cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-isopropyl-3H-purin-6-amine

  • Molecular FormulaC22H29N5O2
  • Average mass395.498 Da
  • Monoisotopic mass395.232117 Da
  • ChemSpider ID23331143

More details:

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

3-[3-(Cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-isopropyl-3H-purin-6-amin [German] [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-isopropyl-3H-purin-6-amine [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-méthoxyphényl]-N-éthyl-8-isopropyl-3H-purin-6-amine [French] [ACD/IUPAC Name]
3H-Purin-6-amine, 3-[3-(cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-(1-methylethyl)- [ACD/Index Name]
3-(3-(cyclopentyloxy)-4-methoxyphenyl)-N-ethyl-8-isopropyl-3H-purin-6-amine
3-[3-(cyclopentyloxy)-4-methoxyphenyl]-N-ethyl-8-(propan-2-yl)-3H-purin-6-amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454417/
V-11294

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 112.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 5.08
ACD/KOC (pH 5.5): 54.37
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 54.42
ACD/KOC (pH 7.4): 582.71
Polar Surface Area: 71 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 311.6±7.0 cm3

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