Found 2 results

Search term: ZPTAMKCEHMNVDI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,6S)-1-Ethyl-6-(hydroxymethyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrido[2,1-a]isoquinolin-4-one | C18H25NO4

(1R,6S)-1-Ethyl-6-(hydroxymethyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrido[2,1-a]isoquinolin-4-one

  • Molecular FormulaC18H25NO4
  • Average mass319.395 Da
  • Monoisotopic mass319.178345 Da
  • ChemSpider ID30651146

  • 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)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrido[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
(1R,6S)-1-Éthyl-6-(hydroxyméthyl)-9,10-diméthoxy-1,2,3,6,7,11b-hexahydro-4H-pyrido[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
(1R,6S)-1-Ethyl-6-(hydroxymethyl)-9,10-dimethoxy-1,2,3,6,7,11b-hexahydro-4H-pyrido[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
4H-Benzo[a]quinolizin-4-one, 1-ethyl-1,2,3,6,7,11b-hexahydro-6-(hydroxymethyl)-9,10-dimethoxy-, (1R,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.7±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.37
ACD/KOC (pH 5.5): 446.84
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.37
ACD/KOC (pH 7.4): 446.84
Polar Surface Area: 59 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 262.8±5.0 cm3

Click to predict properties on the Chemicalize site


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