Cas no 118499-92-6 (Benzenecarboximidamide, 4,4'-[1,3-phenylenebis(methyleneoxy)]bis-)

Benzenecarboximidamide, 4,4'-[1,3-phenylenebis(methyleneoxy)]bis- structure
118499-92-6 structure
Product Name:Benzenecarboximidamide, 4,4'-[1,3-phenylenebis(methyleneoxy)]bis-
CAS No:118499-92-6
MF:C22H23ClN4O2
MW:410.896623849869
CID:1207783
PubChem ID:24203365
Update Time:2025-04-20

Benzenecarboximidamide, 4,4'-[1,3-phenylenebis(methyleneoxy)]bis- Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide, 4,4'-[1,3-phenylenebis(methyleneoxy)]bis-
    • 4,3-phenylenebis(methyleneoxy)] bisbenzenecarboximidamide, dihydrochloride salt
    • BDBM50016525
    • DTXSID20639811
    • 4,4'-[1,3-Phenylenebis(methyleneoxy)]di(benzene-1-carboximidamide)--hydrogen chloride (1/1)
    • NSC727667
    • 118499-92-6
    • NSC-727667
    • CHEMBL3277920
    • Inchi: 1S/C22H22N4O2.ClH/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26;/h1-12H,13-14H2,(H3,23,24)(H3,25,26);1H
    • InChI Key: OHYCPCMYFBOJMX-UHFFFAOYSA-N
    • SMILES: Cl.O(C1C=CC(C(=N)N)=CC=1)CC1C=CC=C(COC2C=CC(C(=N)N)=CC=2)C=1

Computed Properties

  • Exact Mass: 374.17446
  • Monoisotopic Mass: 410.151
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 467
  • 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: 118A^2

Experimental Properties

  • PSA: 118.2
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