ChemSpider 2D Image | (3aR,4R,9bS)-7-Chloro-6-methyl-4-(3-methyl-2-thienyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C18H18ClNS

(3aR,4R,9bS)-7-Chloro-6-methyl-4-(3-methyl-2-thienyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC18H18ClNS
  • Average mass315.860 Da
  • Monoisotopic mass315.084839 Da
  • ChemSpider ID62625759

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,9bS)-7-Chlor-6-methyl-4-(3-methyl-2-thienyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(3aR,4R,9bS)-7-Chloro-6-méthyl-4-(3-méthyl-2-thiényl)-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aR,4R,9bS)-7-Chloro-6-methyl-4-(3-methyl-2-thienyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-4-(3-methyl-2-thienyl)-, (3aR,4R,9bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 440.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.1±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5966.60
ACD/KOC (pH 5.5): 17528.89
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5990.65
ACD/KOC (pH 7.4): 17599.53
Polar Surface Area: 40 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 258.0±3.0 cm3

Click to predict properties on the Chemicalize site


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