Cas no 20096-86-0 (2-Naphthalenesulfonicacid, 6-(phenylamino)-, ion(1-))

2-Naphthalenesulfonicacid, 6-(phenylamino)-, ion(1-) structure
20096-86-0 structure
Product Name:2-Naphthalenesulfonicacid, 6-(phenylamino)-, ion(1-)
CAS No:20096-86-0
MF:C16H12NO3S
MW:298.336382865906
CID:264478
PubChem ID:3081449
Update Time:2025-04-19

2-Naphthalenesulfonicacid, 6-(phenylamino)-, ion(1-) Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid, 6-(phenylamino)-, ion(1-)
    • 6-anilinonaphthalene-2-sulfonate
    • 2,6-Ans
    • 2-Naphthalenesulfonic acid, 6-(phenylamino)-, ion(1-)
    • 20096-86-0
    • DTXSID70173917
    • 2wos
    • BDBM50029039
    • 6-Phenylamino-naphthalene-2-sulfonic acid anion
    • 2-Anilinonaphthalene-6-sulfonic acid
    • Inchi: 1S/C16H13NO3S/c18-21(19,20)16-9-7-12-10-15(8-6-13(12)11-16)17-14-4-2-1-3-5-14/h1-11,17H,(H,18,19,20)/p-1
    • InChI Key: DTFZXNJFEIZTJR-UHFFFAOYSA-M
    • SMILES: S(C1C=CC2=CC(=CC=C2C=1)NC1C=CC=CC=1)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 298.05386
  • Monoisotopic Mass: 298.05378942g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 426
  • 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: 3.4
  • Topological Polar Surface Area: 77.6?2

Experimental Properties

  • PSA: 69.23

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