Cas no 100959-37-3 (Benzenesulfonic acid, 2,5-diamino-4-methyl-)

Benzenesulfonic acid, 2,5-diamino-4-methyl- structure
100959-37-3 structure
Product Name:Benzenesulfonic acid, 2,5-diamino-4-methyl-
CAS No:100959-37-3
MF:C7H10N2O3S
MW:202.230900287628
CID:1127471
Update Time:2024-07-27

Benzenesulfonic acid, 2,5-diamino-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid, 2,5-diamino-4-methyl-
    • Inchi: 1S/C7H10N2O3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
    • InChI Key: UWQNVSVKVKKKOC-UHFFFAOYSA-N
    • SMILES: C1(S(O)(=O)=O)=CC(N)=C(C)C=C1N

Computed Properties

  • Exact Mass: 202.0413

Experimental Properties

  • Density: 1.520±0.06 g/cm3(Predicted)
  • PSA: 106.41
  • pka: 5.02±0.10(Predicted)
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