Cas no 55602-26-1 (Quinolinium, 2-methyl-1-propyl-, iodide)

Quinolinium, 2-methyl-1-propyl-, iodide structure
55602-26-1 structure
Product Name:Quinolinium, 2-methyl-1-propyl-, iodide
CAS No:55602-26-1
MF:C13H16IN
MW:313.177315711975
CID:351426
PubChem ID:71364083
Update Time:2025-04-19

Quinolinium, 2-methyl-1-propyl-, iodide Chemical and Physical Properties

Names and Identifiers

    • Quinolinium, 2-methyl-1-propyl-, iodide
    • 2-methyl-1-propylquinolin-1-ium,iodide
    • 2-Methyl-1-propylquinolin-1-ium iodide
    • DTXSID30787579
    • 55602-26-1
    • Inchi: 1S/C13H16N.HI/c1-3-10-14-11(2)8-9-12-6-4-5-7-13(12)14;/h4-9H,3,10H2,1-2H3;1H/q+1;/p-1
    • InChI Key: SMBUDSPMXODKAL-UHFFFAOYSA-M
    • SMILES: [I-].[N+]1(C(C)=CC=C2C=CC=CC=12)CCC

Computed Properties

  • Exact Mass: 296.9071
  • Monoisotopic Mass: 313.03275g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 3.9?2

Experimental Properties

  • PSA: 3.88
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