Found 6 results

Search term: KCXSFQMJXWNGBX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,6S)-1-Ethyl-6-(hydroxymethyl)-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one | C18H22N2O2

(1R,6S)-1-Ethyl-6-(hydroxymethyl)-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one

  • Molecular FormulaC18H22N2O2
  • Average mass298.379 Da
  • Monoisotopic mass298.168121 Da
  • ChemSpider ID30651149

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,6S)-1-Ethyl-6-(hydroxymethyl)-2,3,6,7,12,12b-hexahydroindolo[2,3-a]chinolizin-4(1H)-on [German] [ACD/IUPAC Name]
(1R,6S)-1-Ethyl-6-(hydroxymethyl)-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one [ACD/IUPAC Name]
(1R,6S)-1-Éthyl-6-(hydroxyméthyl)-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-4(1H)-one [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizin-4(1H)-one, 1-ethyl-2,3,6,7,12,12b-hexahydro-6-(hydroxymethyl)-, (1R,6S)- [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: 546.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 284.3±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.72
ACD/KOC (pH 5.5): 561.89
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.72
ACD/KOC (pH 7.4): 561.89
Polar Surface Area: 56 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 232.0±5.0 cm3

Click to predict properties on the Chemicalize site


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