ChemSpider 2D Image | (3aS,4S,9bS)-4-(4-Ethoxyphenyl)-8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C20H20INO

(3aS,4S,9bS)-4-(4-Ethoxyphenyl)-8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC20H20INO
  • Average mass417.283 Da
  • Monoisotopic mass417.058960 Da
  • ChemSpider ID62650633

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4S,9bS)-4-(4-Ethoxyphenyl)-8-iod-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(3aS,4S,9bS)-4-(4-Éthoxyphényl)-8-iodo-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aS,4S,9bS)-4-(4-Ethoxyphenyl)-8-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-8-iodo-, (3aS,4S,9bS)- [ACD/Index 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: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.8±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6349.31
ACD/KOC (pH 5.5): 18260.16
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6455.77
ACD/KOC (pH 7.4): 18566.30
Polar Surface Area: 21 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 286.6±3.0 cm3

Click to predict properties on the Chemicalize site


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