ChemSpider 2D Image | (6S,10bS)-6-(4-Chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C18H18ClN

(6S,10bS)-6-(4-Chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

  • Molecular FormulaC18H18ClN
  • Average mass283.795 Da
  • Monoisotopic mass283.112762 Da
  • ChemSpider ID23130238

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,10bS)-6-(4-Chlorophényl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(6S,10bS)-6-(4-Chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
(6S,10bS)-6-(4-Chlorphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline, 6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydro-, (6S,10bS)- [ACD/Index Name]
6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;C4H4O4
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285403/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.6±25.4 °C
Index of Refraction: 1.652
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 17.29
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 196.74
ACD/KOC (pH 7.4): 788.16
Polar Surface Area: 3 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 229.3±5.0 cm3

Click to predict properties on the Chemicalize site


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