Cas no 51987-58-7 (1,3,6-Pyrenetrisulfonic acid, 8-amino-)

1,3,6-Pyrenetrisulfonic acid, 8-amino- structure
51987-58-7 structure
Product Name:1,3,6-Pyrenetrisulfonic acid, 8-amino-
CAS No:51987-58-7
MF:C16H11NO9S3
MW:457.454840898514
MDL:MFCD31558270
CID:360926
PubChem ID:4346576
Update Time:2025-04-19

1,3,6-Pyrenetrisulfonic acid, 8-amino- Chemical and Physical Properties

Names and Identifiers

    • 1,3,6-Pyrenetrisulfonic acid, 8-amino-
    • 8-aminopyrene-1,3,6-trisulfonic acid
    • 51987-58-7
    • 8-aminopyrene-1,3,6-trisulfonate
    • PD064193
    • SCHEMBL338441
    • DTXSID20402188
    • MDL: MFCD31558270
    • Inchi: 1S/C16H11NO9S3/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10/h1-6H,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)
    • InChI Key: FZWIIGKQNLYDQI-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C2=CC=C3C(=CC(=C4C=CC=1C2=C43)S(=O)(=O)O)N)S(=O)(=O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 456.95963
  • Monoisotopic Mass: 456.95959445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 3
  • Complexity: 976
  • 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: 0.6
  • Topological Polar Surface Area: 214?2

Experimental Properties

  • PSA: 189.13

1,3,6-Pyrenetrisulfonic acid, 8-amino- Pricemore >>

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