ChemSpider 2D Image | (5S,6S,10bS)-5-Methyl-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C19H21N

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

  • Molecular FormulaC19H21N
  • Average mass263.377 Da
  • Monoisotopic mass263.167389 Da
  • ChemSpider ID23130718

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6S,10bS)-5-Methyl-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(5S,6S,10bS)-5-Méthyl-6-phényl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(5S,6S,10bS)-5-Methyl-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-5-methyl-6-phenyl-, (5S,6S,10bS)- [ACD/Index Name]
5-Methyl-6-phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
5-Methyl-6-phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[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: 383.4±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 166.6±16.2 °C
Index of Refraction: 1.629
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.53
ACD/KOC (pH 5.5): 11.03
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 100.63
ACD/KOC (pH 7.4): 437.83
Polar Surface Area: 3 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 235.2±5.0 cm3

Click to predict properties on the Chemicalize site


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