Cas no 68189-29-7 (6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide)

6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide structure
68189-29-7 structure
Product Name:6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide
CAS No:68189-29-7
MF:C13H16N2O3S
MW:280.342741966248
CID:969450
PubChem ID:109210
Update Time:2025-04-19

6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide Chemical and Physical Properties

Names and Identifiers

    • 6-amino-N-(2-hydroxypropyl)naphthalene-2-sulphonamide
    • 2-Amino-6-(N-(2'-hydroxypropyl)sulfamoyl)naphthalene
    • 2-Naphthalenesulfonamide, 6-amino-N-(2-hydroxypropyl)-
    • 6-amino-N-(2-hydroxypropyl)naphthalene-2-sulfonamide
    • EINECS 269-186-0
    • DTXSID00887232
    • NS00062882
    • 68189-29-7
    • WOSPGWVMEJFZEO-UHFFFAOYSA-N
    • Inchi: 1S/C13H16N2O3S/c1-9(16)8-15-19(17,18)13-5-3-10-6-12(14)4-2-11(10)7-13/h2-7,9,15-16H,8,14H2,1H3
    • InChI Key: WOSPGWVMEJFZEO-UHFFFAOYSA-N
    • SMILES: S(C1C=CC2C=C(C=CC=2C=1)N)(NCC(C)O)(=O)=O

Computed Properties

  • Exact Mass: 280.08828
  • Monoisotopic Mass: 280.08816355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 393
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 92.42
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