Cas no 81994-82-3 (1H-Imidazolium, 1-methyl-3-pentyl-)

1H-Imidazolium, 1-methyl-3-pentyl- structure
81994-82-3 structure
Product Name:1H-Imidazolium, 1-methyl-3-pentyl-
CAS No:81994-82-3
MF:C9H19N2
MW:155.260562181473
CID:701713
PubChem ID:71420580
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Imidazolium, 1-methyl-3-pentyl-
    • 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium
    • DTXSID90839765
    • 81994-82-3
    • 1-Methyl-3-pentyl-2,3-dihydro-1H-imidazol-1-ium
    • Inchi: 1S/C9H18N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-8H,3-6,9H2,1-2H3/p+1
    • InChI Key: HDXFBBSZRMZTFF-UHFFFAOYSA-O
    • SMILES: [NH+]1(C)C=CN(CCCCC)C1

Computed Properties

  • Exact Mass: 155.154823615g/mol
  • Monoisotopic Mass: 155.154823615g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 132
  • 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: 2.4
  • Topological Polar Surface Area: 7.7?2
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