Cas no 725-13-3 (1H-Imidazolium, 4,5-dihydro-1,3-diphenyl-)

1H-Imidazolium, 4,5-dihydro-1,3-diphenyl- structure
725-13-3 structure
Product Name:1H-Imidazolium, 4,5-dihydro-1,3-diphenyl-
CAS No:725-13-3
MF:C15H17N2
MW:225.308883428574
CID:543802
PubChem ID:71404404
Update Time:2025-04-19

1H-Imidazolium, 4,5-dihydro-1,3-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazolium, 4,5-dihydro-1,3-diphenyl-
    • 1,3-diphenylimidazolidin-1-ium
    • DTXSID00825255
    • 725-13-3
    • Inchi: 1S/C15H16N2/c1-3-7-14(8-4-1)16-11-12-17(13-16)15-9-5-2-6-10-15/h1-10H,11-13H2/p+1
    • InChI Key: WYEYGPJVIZYKNM-UHFFFAOYSA-O
    • SMILES: [NH+]1(C2C=CC=CC=2)CN(C2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 225.13931
  • Monoisotopic Mass: 225.139173551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 3.7
  • Topological Polar Surface Area: 7.7?2

Experimental Properties

  • PSA: 7.68
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