ChemSpider 2D Image | 4-(2-Bromo-4,5-dimethoxybenzyl)-4-(2-{2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]ethoxy}ethyl)morpholin-4-ium | C26H41BrNO4

4-(2-Bromo-4,5-dimethoxybenzyl)-4-(2-{2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]ethoxy}ethyl)morpholin-4-ium

  • Molecular FormulaC26H41BrNO4
  • Average mass511.512 Da
  • Monoisotopic mass510.221344 Da
  • ChemSpider ID34994318

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-(2-Brom-4,5-dimethoxybenzyl)-4-(2-{2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]ethoxy}ethyl)morpholin-4-ium [German] [ACD/IUPAC Name]
4-(2-Bromo-4,5-dimethoxybenzyl)-4-(2-{2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]ethoxy}ethyl)morpholin-4-ium [ACD/IUPAC Name]
4-(2-Bromo-4,5-diméthoxybenzyl)-4-(2-{2-[(1R,2S,5R)-6,6-diméthylbicyclo[3.1.1]hept-2-yl]éthoxy}éthyl)morpholin-4-ium [French] [ACD/IUPAC Name]
Morpholinium, 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-[(1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]ethoxy]ethyl]- [ACD/Index Name]
59995-65-2 [RN]
Pinaverium [Wiki]
UNII-U2368VVE7O

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 253.15
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.99
ACD/KOC (pH 7.4): 253.15
Polar Surface Area: 37 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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