ChemSpider 2D Image | 1-[1-(3-Chlorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-hexanone | C25H32ClNO3

1-[1-(3-Chlorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-hexanone

  • Molecular FormulaC25H32ClNO3
  • Average mass429.979 Da
  • Monoisotopic mass429.207062 Da
  • ChemSpider ID22771916

More details:

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

1-[1-(3-Chlorophényl)-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl]-2-éthyl-1-hexanone [French] [ACD/IUPAC Name]
1-[1-(3-Chlorophenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-hexanone [ACD/IUPAC Name]
1-[1-(3-Chlorphenyl)-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl]-2-ethyl-1-hexanon [German] [ACD/IUPAC Name]
1-Hexanone, 1-[1-(3-chlorophenyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]-2-ethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23551.25
ACD/KOC (pH 5.5): 46889.27
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23551.25
ACD/KOC (pH 7.4): 46889.27
Polar Surface Area: 39 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 382.1±3.0 cm3

Click to predict properties on the Chemicalize site


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