ChemSpider 2D Image | (2R,3R)-3-Isobutyl-9,10-dimethoxy-2-[(~11~C)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline | C1911CH31NO3

(2R,3R)-3-Isobutyl-9,10-dimethoxy-2-[(11C)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline

  • Molecular FormulaC1911CH31NO3
  • Average mass332.466 Da
  • Monoisotopic mass332.241821 Da
  • ChemSpider ID396745

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R)-3-Isobutyl-9,10-dimethoxy-2-[(11C)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin [German] [ACD/IUPAC Name]
(2R,3R)-3-Isobutyl-9,10-diméthoxy-2-[(11C)méthyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
(2R,3R)-3-Isobutyl-9,10-dimethoxy-2-[(11C)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline [ACD/IUPAC Name]
2H-Benzo[a]quinolizine, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(methyl-11C-oxy)-3-(2-methylpropyl)-, (2R,3R)- [ACD/Index Name]

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

MOLI000896 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

Click to predict properties on the Chemicalize site


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