Cas no 80432-06-0 (1H-Imidazolium, 1-methyl-3-propyl-)

1H-Imidazolium, 1-methyl-3-propyl- structure
80432-06-0 structure
Product Name:1H-Imidazolium, 1-methyl-3-propyl-
CAS No:80432-06-0
MF:C7H13N2
MW:125.191521406174
CID:705646
PubChem ID:5245884
Update Time:2025-04-19

1H-Imidazolium, 1-methyl-3-propyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazolium, 1-methyl-3-propyl-
    • 1-methyl-3-propyl-1,2-dihydroimidazol-1-ium
    • 1-methyl-3-propyl-1H-Imidazolium
    • 1-PROPYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE
    • DTXSID3048100
    • CHEMBL1229271
    • 1-methyl-3-propylimidazol-1-ium iodide
    • InChI=1/C7H13N2/c1-3-4-9-6-5-8(2)7-9/h5-7H,3-4H2,1-2H3/q+1
    • 80432-06-0
    • SCHEMBL293655
    • WVDDUSFOSWWJJH-UHFFFAOYSA-
    • 3-Methyl-1-propyl-1H-imidazol-3-ium
    • Inchi: 1S/C7H13N2/c1-3-4-9-6-5-8(2)7-9/h5-7H,3-4H2,1-2H3/q+1
    • InChI Key: WVDDUSFOSWWJJH-UHFFFAOYSA-N
    • SMILES: N1(C=C[N+](C)=C1)CCC

Computed Properties

  • Exact Mass: 125.107873423g/mol
  • Monoisotopic Mass: 125.107873423g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 83
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 8.8?2
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