ChemSpider 2D Image | (2S)-3,3-Dimethyl-2-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}-1-butanol | C16H32N2O

(2S)-3,3-Dimethyl-2-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}-1-butanol

  • Molecular FormulaC16H32N2O
  • Average mass268.438 Da
  • Monoisotopic mass268.251465 Da
  • ChemSpider ID29617346
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S)-3,3-Dimethyl-2-{[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]amino}-1-butanol [German] [ACD/IUPAC Name]
(2S)-3,3-Dimethyl-2-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}-1-butanol [ACD/IUPAC Name]
(2S)-3,3-Diméthyl-2-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]amino}-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 3,3-dimethyl-2-[[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]amino]-, (2S)- [ACD/Index Name]
(2S)-3,3-dimethyl-2-{[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}butan-1-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 390.2±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.0±6.0 kJ/mol
Flash Point: 189.8±19.6 °C
Index of Refraction: 1.515
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 36 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 268.7±5.0 cm3

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