Cas no 4554-30-7 (Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1))

Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) structure
4554-30-7 structure
Product Name:Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
CAS No:4554-30-7
MF:C9H16INO2
MW:297.133315086365
CID:329246
PubChem ID:78313
Update Time:2025-04-19

Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
    • arecoline methiodide
    • 1,1-Dimethyl-1,2,5,6-tetrahydro-nicotinsaeure-methylester-Iodid
    • 5-methoxycarbonyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium, iodide
    • 5-Methoxycarbonyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium, Jodid
    • N-Methylarecolinium iodide
    • Pyridinium,2,3,6-tetrahydro-1,1-dimethyl-, iodide, methyl ester
    • Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide
    • NSC170450
    • Pyridinium,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide
    • NSC-170450
    • Arecaidine methyl ester methiodide
    • Pyridinium, 3-carboxy-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide, methyl ester
    • 4554-30-7
    • 5-(Methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide
    • NSC 170450
    • Arecholine methiodide
    • 1-Methyl-3-carbomethoxy-1,2,5,6-tetrahydropyridinium iodide
    • WLN: T6K CUTJ A1 A1 CVO1 &I
    • Arecholine iodomethylate
    • DTXSID10963399
    • Pyridinium, 1,2,5,6-tetrahydro-1,1-dimethyl-3-carboxy-, iodide, methyl ester
    • Iodomethylate arecholine
    • 3-Carboxy-1,2,5,6-tetrahydro-1,1-dimethylpyridinium iodide, methyl ester
    • Arecoline iodomethylate
    • Pyridinium, 5-carboxy-1,2,3,6-tetrahydro-1,1-dimethyl-, iodide, methyl ester
    • Pyridinium,2,5,6-tetrahydro-1,1-dimethyl-, iodide, methyl ester
    • Inchi： 1S/C9H16NO2.HI/c1-10(2)6-4-5-8(7-10)9(11)12-3;/h5H,4,6-7H2,1-3H3;1H/q+1;/p-1
    • InChI Key： WXJOLIZPHGZZKX-UHFFFAOYSA-M
    • SMILES： [I-].O(C)C(C1=CCC[N+](C)(C)C1)=O

Computed Properties

  • Exact Mass: 280.8969
  • Monoisotopic Mass: 297.02258g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 219
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
  • LogP: -2.47130

Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) Related Literature

4554-30-7 (Pyridinium,1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)) Related Products

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