Cas no 58210-12-1 (Ethanesulfonic acid, 2-[(3-aminopropyl)amino]-)

Ethanesulfonic acid, 2-[(3-aminopropyl)amino]- structure
58210-12-1 structure
Product Name:Ethanesulfonic acid, 2-[(3-aminopropyl)amino]-
CAS No:58210-12-1
MF:C5H14N2O3S
MW:182.241260051727
CID:342825
PubChem ID:12260032
Update Time:2025-04-19

Ethanesulfonic acid, 2-[(3-aminopropyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Ethanesulfonic acid, 2-[(3-aminopropyl)amino]-
    • 2-(3-aminopropylamino)ethanesulfonic acid
    • 58210-12-1
    • SCHEMBL600849
    • DTXSID10482838
    • Inchi: 1S/C5H14N2O3S/c6-2-1-3-7-4-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)
    • InChI Key: FNVNVQAFYMEIES-UHFFFAOYSA-N
    • SMILES: S(CCNCCCN)(=O)(=O)O

Computed Properties

  • Exact Mass: 182.07262
  • Monoisotopic Mass: 182.07251349g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 6
  • Complexity: 173
  • 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: -4.2
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 92.42
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