Cas no 37642-90-3 (N-(furan-2-ylmethyl)-N,N-dimethylethanaminium iodide)

N-(furan-2-ylmethyl)-N,N-dimethylethanaminium iodide structure
37642-90-3 structure
Product Name:N-(furan-2-ylmethyl)-N,N-dimethylethanaminium iodide
CAS No:37642-90-3
MF:C9H16INO
MW:281.13391494751
CID:1485057
PubChem ID:216721
Update Time:2025-04-21

N-(furan-2-ylmethyl)-N,N-dimethylethanaminium iodide Chemical and Physical Properties

Names and Identifiers

    • N-(furan-2-ylmethyl)-N,N-dimethylethanaminium iodide
    • Dimethylethylfurfurylammonium iodide
    • Ammonium, dimethylethylfurfuryl-, iodide
    • Furfuryldimethylethylammonium iodide
    • METHYLFURTRETHONIUM IODIDE 5-METHYLFURME THIODIDE
    • DTXSID60958694
    • N-[(Furan-2-yl)methyl]-N,N-dimethylethanaminium iodide
    • 37642-90-3
    • Inchi: 1S/C9H16NO.HI/c1-4-10(2,3)8-9-6-5-7-11-9;/h5-7H,4,8H2,1-3H3;1H/q+1;/p-1
    • InChI Key: AJKRMUMVYNIEOR-UHFFFAOYSA-M
    • SMILES: [I-].O1C=CC=C1C[N+](C)(C)CC

Computed Properties

  • Exact Mass: 264.902
  • Monoisotopic Mass: 281.02766g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 123
  • 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: 13.1?2

Experimental Properties

  • PSA: 13.14
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