ChemSpider 2D Image | (13aS)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline | C23H25NO3

(13aS)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline

  • Molecular FormulaC23H25NO3
  • Average mass363.449 Da
  • Monoisotopic mass363.183441 Da
  • ChemSpider ID26616808

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(13aS)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isochinolin [German] [ACD/IUPAC Name]
(13aS)-3,6,7-Triméthoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoléine [French] [ACD/IUPAC Name]
(13aS)-3,6,7-Trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline [ACD/IUPAC Name]
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, (13aS)- [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: 542.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 158.4±25.9 °C
Index of Refraction: 1.670
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 17.05
ACD/KOC (pH 5.5): 59.26
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 856.17
ACD/KOC (pH 7.4): 2976.50
Polar Surface Area: 31 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 290.4±5.0 cm3

Click to predict properties on the Chemicalize site


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