ChemSpider 2D Image | 4-[(6S,10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline | C18H20N2

4-[(6S,10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline

  • Molecular FormulaC18H20N2
  • Average mass264.365 Da
  • Monoisotopic mass264.162659 Da
  • ChemSpider ID23130564

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(6S,10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isochinolin-6-yl]anilin [German] [ACD/IUPAC Name]
4-[(6S,10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinoléin-6-yl]aniline [French] [ACD/IUPAC Name]
4-[(6S,10bS)-1,2,3,5,6,10b-Hexahydropyrrolo[2,1-a]isoquinolin-6-yl]aniline [ACD/IUPAC Name]
Benzenamine, 4-[(6S,10bS)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]- [ACD/Index Name]
4-(1,2,3,5,6,10b-Hexahydro-pyrrolo[2,1-a]isoquinolin-6-yl)-phenylamine
4-[(2S,8S)-6-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-8-yl]aniline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 191.8±20.5 °C
Index of Refraction: 1.669
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 6.35
ACD/KOC (pH 7.4): 56.14
Polar Surface Area: 29 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 221.5±5.0 cm3

Click to predict properties on the Chemicalize site


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