ChemSpider 2D Image | (4aR,4bR,10bR,12aS)-2-Chloro-8-methoxy-12a-methyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isoquinolin-3(2H)-one | C19H24ClNO2

(4aR,4bR,10bR,12aS)-2-Chloro-8-methoxy-12a-methyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isoquinolin-3(2H)-one

  • Molecular FormulaC19H24ClNO2
  • Average mass333.852 Da
  • Monoisotopic mass333.149567 Da
  • ChemSpider ID58842431

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,4bR,10bR,12aS)-2-Chlor-8-methoxy-12a-methyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isochinolin-3(2H)-on [German] [ACD/IUPAC Name]
(4aR,4bR,10bR,12aS)-2-Chloro-8-methoxy-12a-methyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydronaphtho[2,1-f]isoquinolin-3(2H)-one [ACD/IUPAC Name]
(4aR,4bR,10bR,12aS)-2-Chloro-8-méthoxy-12a-méthyl-1,4,4a,4b,5,6,10b,11,12,12a-décahydronaphto[2,1-f]isoquinoléin-3(2H)-one [French] [ACD/IUPAC Name]
Naphth[2,1-f]isoquinolin-3(2H)-one, 2-chloro-1,4,4a,4b,5,6,10b,11,12,12a-decahydro-8-methoxy-12a-methyl-, (4aR,4bR,10bR,12aS)- [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: 457.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.6±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1099.51
ACD/KOC (pH 5.5): 5229.87
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1099.51
ACD/KOC (pH 7.4): 5229.87
Polar Surface Area: 30 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 268.9±5.0 cm3

Click to predict properties on the Chemicalize site


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