Cas no 74319-86-1 (Benzenesulfonic acid, 4-amino-2,3-dimethyl-)

Benzenesulfonic acid, 4-amino-2,3-dimethyl- structure
74319-86-1 structure
Product Name:Benzenesulfonic acid, 4-amino-2,3-dimethyl-
CAS No:74319-86-1
MF:C8H11NO3S
MW:201.242841005325
CID:541207
PubChem ID:12580747
Update Time:2025-04-19

Benzenesulfonic acid, 4-amino-2,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 4-amino-2,3-dimethyl-
    • 4-amino-2,3-dimethylbenzenesulfonic acid
    • 74319-86-1
    • DTXSID30503271
    • SCHEMBL11689305
    • p-Xylidinsulfosaure
    • 4-Amino-2,3-dimethylbenzene-1-sulfonic acid
    • Inchi: 1S/C8H11NO3S/c1-5-6(2)8(13(10,11)12)4-3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
    • InChI Key: KFVCGCYALLDNBH-UHFFFAOYSA-N
    • SMILES: S(C1=CC=C(C(C)=C1C)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 201.04596439g/mol
  • Monoisotopic Mass: 201.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 270
  • 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: 0.7
  • Topological Polar Surface Area: 88.8?2
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