Cas no 71526-68-6 (1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-)

1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]- structure
71526-68-6 structure
Product Name:1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-
CAS No:71526-68-6
MF:C9H14N2O3S
MW:230.284060955048
CID:545425
PubChem ID:21407768
Update Time:2025-04-19

1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanesulfonic acid, 3-[(4-aminophenyl)amino]-
    • 3-(4-aminoanilino)propane-1-sulfonic acid
    • 71526-68-6
    • DTXSID10613266
    • SCHEMBL917777
    • Inchi: 1S/C9H14N2O3S/c10-8-2-4-9(5-3-8)11-6-1-7-15(12,13)14/h2-5,11H,1,6-7,10H2,(H,12,13,14)
    • InChI Key: RZVXUXFKLPCCAQ-UHFFFAOYSA-N
    • SMILES: S(CCCNC1C=CC(=CC=1)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 230.07262
  • Monoisotopic Mass: 230.07251349g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 266
  • 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: 0.5
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 92.42
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