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Search term: PJSJQZZEIMTJHQ-UXXLAEJSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3-endo)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octane | C31H36NO

(3-endo)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC31H36NO
  • Average mass438.623 Da
  • Monoisotopic mass438.279144 Da
  • ChemSpider ID28490712

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3-endo)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-endo)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-endo)-3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulén-5-yloxy)-8-méthyl-8-(2-phényléthyl)-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azoniabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-8-(2-phenylethyl)-, (3-endo) [ACD/Index Name]

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: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.68
ACD/KOC (pH 5.5): 304.29
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.68
ACD/KOC (pH 7.4): 304.29
Polar Surface Area: 9 Å2
Polarizability:
Surface Tension:
Molar Volume:

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