Cas no 101611-66-9 (1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI))

1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) structure
101611-66-9 structure
Product Name:1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)
CAS No:101611-66-9
MF:C24H42I2N2O4
MW:676.410232067108
CID:207176
PubChem ID:3063797
Update Time:2025-04-19

1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)
    • methyl 1-[6-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate,diiodide
    • methyl 1-[6-(8-methoxycarbonyl-1-azoniabicyclo[2.2.2]oct-1-yl)hexyl]-1 -azoniabicyclo[2.2.2]octane-8-carboxylate diiodide
    • 1,1'-Hexamethylenebis(3-carboxyquinuclidinium iodide) dimethyl ester
    • AC1MI6DZ
    • CTK8G4370
    • LS-143172
    • methyl 1-[6-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate;diiodide
    • methyl 1-[6-(8-methoxycarbonyl-1-azoniabicyclo[2.2.2]oct-1-yl)hexyl]-1 -azoniabicyclo[2.2.2]octane-8
    • 101611-66-9
    • 1,1'-(Hexane-1,6-diyl)bis[3-(methoxycarbonyl)-1-azabicyclo[2.2.2]octan-1-ium] diiodide
    • Methyl 1-[6-(8-methoxycarbonyl-1-azoniabicyclo[2.2.2]oct-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane-8-carboxylate diiodide
    • DTXSID60906397
    • Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester
    • Inchi： 1S/C24H42N2O4.2HI/c1-29-23(27)21-17-25(13-7-19(21)8-14-25)11-5-3-4-6-12-26-15-9-20(10-16-26)22(18-26)24(28)30-2;;/h19-22H,3-18H2,1-2H3;2*1H/q+2;;/p-2
    • InChI Key： HACWHPLOPMLTCY-UHFFFAOYSA-L
    • SMILES： [I-].[I-].O(C)C(C1C[N+]2(CCCCCC[N+]34CCC(CC3)C(C(=O)OC)C4)CCC1CC2)=O

Computed Properties

  • Exact Mass: 633.7938
  • Monoisotopic Mass: 676.123
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 11
  • Complexity: 567
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 52.6
  • LogP: -3.46840

1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI) Related Literature

101611-66-9 (1,1'-Hexamethylenebis[3-carboxyquinuclidiniumiodide], dimethyl ester (7CI)) Related Products

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