ChemSpider 2D Image | 2,2,2-Trichloro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C12H19Cl3N2O

2,2,2-Trichloro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC12H19Cl3N2O
  • Average mass313.651 Da
  • Monoisotopic mass312.056305 Da
  • ChemSpider ID126774994

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2,2-Trichlor-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2,2,2-Trichloro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2,2,2-Trichloro-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2,2,2-trichloro-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.7±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 32 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 236.7±5.0 cm3

Click to predict properties on the Chemicalize site


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