ChemSpider 2D Image | 1-(5-Isoquinolinyl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]methanamine | C21H29N3

1-(5-Isoquinolinyl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]methanamine

  • Molecular FormulaC21H29N3
  • Average mass323.475 Da
  • Monoisotopic mass323.236145 Da
  • ChemSpider ID29584150

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(5-Isochinolinyl)-N-methyl-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]methanamin [German] [ACD/IUPAC Name]
1-(5-Isoquinoléinyl)-N-méthyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]méthanamine [French] [ACD/IUPAC Name]
1-(5-Isoquinolinyl)-N-methyl-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]methanamine [ACD/IUPAC Name]
5-Isoquinolinemethanamine, N-methyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
(isoquinolin-5-ylmethyl)methyl[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 462.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.7±21.8 °C
Index of Refraction: 1.617
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 19 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

Click to predict properties on the Chemicalize site


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