Cas no 52736-17-1 (Benzenesulfonic acid,4-amino-, aluminum salt (3:1))

Benzenesulfonic acid,4-amino-, aluminum salt (3:1) structure
52736-17-1 structure
Product Name:Benzenesulfonic acid,4-amino-, aluminum salt (3:1)
CAS No:52736-17-1
MF:C6H6AlNO3S
MW:199.163279056549
CID:373704
PubChem ID:3085016
Update Time:2025-04-19

Benzenesulfonic acid,4-amino-, aluminum salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-amino-, aluminum salt (3:1)
    • aluminium tris(sulphanilate)
    • benzenesulfonate, 4-amino-, aluminum salt
    • EINECS 258-145-2
    • 52736-17-1
    • Inchi: 1S/C6H7NO3S.Al/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,7H2,(H,8,9,10);/q;+3/p-1
    • InChI Key: NQVQGYJINKSTJR-UHFFFAOYSA-M
    • SMILES: S(C1C=CC(=CC=1)N)(=O)(=O)[O-].[Al+3]

Computed Properties

  • Exact Mass: 543.00214
  • Monoisotopic Mass: 198.9883776g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 197
  • 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: 91.6?2

Experimental Properties

  • PSA: 249.66
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