Cas no 118-21-8 (2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-)

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]- structure
118-21-8 structure
Product Name:2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-
CAS No:118-21-8
MF:C16H14N2O4S
MW:330.358362674713
CID:212137
PubChem ID:113572
Update Time:2025-04-19

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]-
    • 5-amino-8-(4-hydroxyphenylamino)naphthalene-2-sulfonicacid
    • 5-amino-8-(4-hydroxyanilino)naphthalene-2-sulfonic acid
    • 5-azanyl-8-[(4-hydroxyphenyl)amino]naphthalene-2-sulfonic acid
    • DTXSID9059468
    • 118-21-8
    • EINECS 309-392-0
    • SCHEMBL11508569
    • NS00126363
    • 2-Naphthalenesulfonic acid, 5-amino-8-((4-hydroxyphenyl)amino)-
    • 100258-48-8
    • 5(or 8)-Amino-8(or 5)-((4-hydroxyphenyl)amino)naphthalene-2-sulphonic acid
    • 2-Naphthalenesulfonic acid, 5-amino-8-[(4-hydroxyphenyl)amino]-
    • Inchi: 1S/C16H14N2O4S/c17-15-7-8-16(18-10-1-3-11(19)4-2-10)14-9-12(23(20,21)22)5-6-13(14)15/h1-9,18-19H,17H2,(H,20,21,22)
    • InChI Key: WMMPQNHKEHRMSH-UHFFFAOYSA-N
    • SMILES: S(C1=CC=C2C(=CC=C(C2=C1)NC1C=CC(=CC=1)O)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 330.06700
  • Monoisotopic Mass: 330.06742811g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 499
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.4
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • PSA: 121.03000
  • LogP: 4.85290

2-Naphthalenesulfonicacid, 5-amino-8-[(4-hydroxyphenyl)amino]- Related Literature

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