ChemSpider 2D Image | (3R,11bR)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid | C15H19NO3

(3R,11bR)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid

  • Molecular FormulaC15H19NO3
  • Average mass261.316 Da
  • Monoisotopic mass261.136505 Da
  • ChemSpider ID58805320

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,11bR)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-3-carbonsäure [German] [ACD/IUPAC Name]
(3R,11bR)-9-Methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-3-carboxylic acid [ACD/IUPAC Name]
2H-Benzo[a]quinolizine-3-carboxylic acid, 1,3,4,6,7,11b-hexahydro-9-methoxy-, (3R,11bR)- [ACD/Index Name]
Acide (3R,11bR)-9-méthoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléine-3-carboxylique [French] [ACD/IUPAC Name]
3839-73-4 [RN]
Trans-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline-3-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 443.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 221.9±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.48
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 50 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 207.8±5.0 cm3

Click to predict properties on the Chemicalize site


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