ChemSpider 2D Image | (6S,10bR)-6-(3,4-Dichlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C18H17Cl2N

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

  • Molecular FormulaC18H17Cl2N
  • Average mass318.240 Da
  • Monoisotopic mass317.073792 Da
  • ChemSpider ID23130146

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,10bR)-6-(3,4-Dichlorophényl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(6S,10bR)-6-(3,4-Dichlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
(6S,10bR)-6-(3,4-Dichlorphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline, 6-(3,4-dichlorophenyl)-1,2,3,5,6,10b-hexahydro-, (6S,10bR)- [ACD/Index Name]
(2R,8S)-8-(3,4-dichlorophenyl)-6-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL287474/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 425.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.3±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 88.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 15.33
ACD/KOC (pH 5.5): 48.30
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 775.57
ACD/KOC (pH 7.4): 2444.40
Polar Surface Area: 3 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 240.2±5.0 cm3

Click to predict properties on the Chemicalize site


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