Cas no 81-06-1 (2-Naphthalenesulfonicacid, 1-amino-)

2-Naphthalenesulfonicacid, 1-amino- structure
81-06-1 structure
Product Name:2-Naphthalenesulfonicacid, 1-amino-
CAS No:81-06-1
MF:C10H9NO3S
MW:223.248361349106
CID:726179
PubChem ID:6667
Update Time:2025-04-19

2-Naphthalenesulfonicacid, 1-amino- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenesulfonicacid, 1-amino-
    • 1-Amino-2-naphthalenesulfonic acid
    • 1-amino-naphthalene-2-sulfonic acid
    • 1-Aminonaphthalene-2-sulphonic acid
    • 1-Amino-naphthalin-2-sulfonsaeure
    • 1-naphthylamine-2-sulfonic acid
    • EINECS 201-320-5
    • Naphthylamin-(1)-sulfonsaeure-(2)
    • o-NAPHTHIONIC ACID
    • AKOS022506535
    • N3P4M2L23X
    • UNII-N3P4M2L23X
    • .ALPHA.-NAPHTHYLAMINE-2-SULFONIC ACID
    • NS00022808
    • DTXSID7058838
    • 81-06-1
    • 1-Naphthylamine-2-sulfonicacid
    • 2-Naphthalenesulfonic acid, 1-amino-
    • SCHEMBL156836
    • 1-aminonaphthalene-2-sulfonic acid
    • J4.351F
    • Q27284515
    • 1.4-Naphthylaminsulfosaure
    • FT-0631363
    • Inchi: 1S/C10H9NO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
    • InChI Key: ONZWNZGVZFLMNZ-UHFFFAOYSA-N
    • SMILES: S(C1=CC=C2C=CC=CC2=C1N)(=O)(=O)O

Computed Properties

  • Exact Mass: 223.03000
  • Monoisotopic Mass: 223.030314
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 322
  • 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
  • Topological Polar Surface Area: 88.8
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.3588 (rough estimate)
  • Refractive Index: 1.6500 (estimate)
  • PSA: 88.77000
  • LogP: 3.33070
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