ChemSpider 2D Image | (2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol | C19H29NO3

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

  • Molecular FormulaC19H29NO3
  • Average mass319.439 Da
  • Monoisotopic mass319.214752 Da
  • ChemSpider ID23976703
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-ol [German] [ACD/IUPAC Name]
(2R,3S,11bS)-3-Isobutyl-9,10-diméthoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-ol [French] [ACD/IUPAC Name]
(2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol [ACD/IUPAC Name]
2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3S,11bS)- [ACD/Index Name]
(2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
(2r,3s,11bs)-9,10-dimethoxy-3-(2-methylpropyl)-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-ol
(2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
(2r,3s,11bs)-dihydrotetrabenazine
113627-25-1 [RN]
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2r,3s,11bs)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 457.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.7±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 15.34
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 101.75
ACD/KOC (pH 7.4): 710.07
Polar Surface Area: 42 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 282.7±5.0 cm3

Click to predict properties on the Chemicalize site






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