ChemSpider 2D Image | (10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline | C12H15N

(10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoline

  • Molecular FormulaC12H15N
  • Average mass173.254 Da
  • Monoisotopic mass173.120453 Da
  • ChemSpider ID23130490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(10bS)-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-, (10bS)- [ACD/Index Name]
1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinoline
1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinoline;C7H5NO3S
59367-69-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 106.4±15.6 °C
Index of Refraction: 1.604
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 24.17
Polar Surface Area: 3 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 157.9±5.0 cm3

Click to predict properties on the Chemicalize site


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