Cas no 70916-29-9 (2-(methylamino)benzene-1-sulfonic acid)

2-(methylamino)benzene-1-sulfonic acid structure
70916-29-9 structure
Product Name:2-(methylamino)benzene-1-sulfonic acid
CAS No:70916-29-9
MF:C7H9NO3S
MW:187.216260671616
MDL:MFCD20661224
CID:546395
PubChem ID:15570207
Update Time:2025-04-19

2-(methylamino)benzene-1-sulfonic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 2-(methylamino)-
    • 2-(methylamino)benzenesulfonic acid
    • 2-(methylamino)benzene-1-sulfonic acid
    • CS-0434771
    • EN300-25390927
    • DTXSID60574530
    • 70916-29-9
    • SCHEMBL35949
    • MDL: MFCD20661224
    • Inchi: 1S/C7H9NO3S/c1-8-6-4-2-3-5-7(6)12(9,10)11/h2-5,8H,1H3,(H,9,10,11)
    • InChI Key: BDHNZWFPUYTGGS-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1NC)(=O)(=O)O

Computed Properties

  • Exact Mass: 187.03037
  • Monoisotopic Mass: 187.03031432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 1.2
  • Topological Polar Surface Area: 74.8?2

Experimental Properties

  • PSA: 66.4

2-(methylamino)benzene-1-sulfonic acid Pricemore >>

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