Cas no 4767-31-1 (Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1))

Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1) structure
4767-31-1 structure
Product Name:Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1)
CAS No:4767-31-1
MF:C14H16ClN5
MW:289.763340950012
CID:334407
PubChem ID:11971696
Update Time:2025-04-19

Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1)
    • 1-(diaminomethylidene)-2-(4-phenylphenyl)guanidine,hydrochloride
    • AGN-PC-00J06B
    • CTK1D8711
    • LS-43852
    • NSC49391
    • NSC-49391
    • 1-(4-Biphenylyl)biguanide monohydrochloride
    • DU11090000
    • 4767-31-1
    • DTXSID00474949
    • N''-[1,1'-Biphenyl]-4-yl-N-(diaminomethylidene)guanidine--hydrogen chloride (1/1)
    • Biguanide, 1-(4-biphenylyl)-, monohydrochloride
    • NIOSH/DU1109000
    • Inchi： 1S/C14H15N5.ClH/c15-13(16)19-14(17)18-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H6,15,16,17,18,19);1H
    • InChI Key： JJRQXGUWZORBNW-UHFFFAOYSA-N
    • SMILES： Cl.N(=C(/N)\N=C(/N)\N)/C1C=CC(=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 289.10900
  • Monoisotopic Mass: 289.1094232g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 332
  • 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: 103?2

Experimental Properties

  • PSA: 97.78000
  • LogP: 4.34900

Imidodicarbonimidicdiamide, N-[1,1'-biphenyl]-4-yl-, hydrochloride (1:1) Related Literature

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