ChemSpider 2D Image | (7R,11bS)-11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline | C20H23N

(7R,11bS)-11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline

  • Molecular FormulaC20H23N
  • Average mass277.403 Da
  • Monoisotopic mass277.183044 Da
  • ChemSpider ID23130400

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7R,11bS)-11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(7R,11bS)-11b-Méthyl-7-phényl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(7R,11bS)-11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline [ACD/IUPAC Name]
2H-Benzo[a]quinolizine, 1,3,4,6,7,11b-hexahydro-11b-methyl-7-phenyl-, (7R,11bS)- [ACD/Index Name]
11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline [ACD/IUPAC Name]
11b-Methyl-7-phenyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline;C7H5NO3S

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

Density: 1.1±0.1 g/cm3
Boiling Point: 393.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 171.6±16.2 °C
Index of Refraction: 1.622
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 20.19
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 233.32
ACD/KOC (pH 7.4): 794.72
Polar Surface Area: 3 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 250.6±5.0 cm3

Click to predict properties on the Chemicalize site


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