Cas no 58431-91-7 (3-bis(2-hydroxyethyl)aminopropane-1-sulfonic acid)

3-bis(2-hydroxyethyl)aminopropane-1-sulfonic acid structure
58431-91-7 structure
Product Name:3-bis(2-hydroxyethyl)aminopropane-1-sulfonic acid
CAS No:58431-91-7
MF:C7H17NO5S
MW:227.278581380844
MDL:MFCD18974546
CID:372770
PubChem ID:94043
Update Time:2025-04-19

3-bis(2-hydroxyethyl)aminopropane-1-sulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Propanesulfonic acid,3-[bis(2-hydroxyethyl)amino]-
    • 3-[bis(2-hydroxyethyl)amino]propane-1-sulfonic acid
    • 3-[bis(2-hydroxyethyl)amino]propanesulphonic acid
    • 3-(Bis(2-hydroxyethyl)amino)propanesulphonic acid
    • 3-bis(2-hydroxyethyl)aminopropane-1-sulfonic acid
    • NS00033925
    • EN300-28226824
    • 58431-91-7
    • SCHEMBL8108004
    • DTXSID20207135
    • EINECS 261-246-4
    • MDL: MFCD18974546
    • Inchi: 1S/C7H17NO5S/c9-5-3-8(4-6-10)2-1-7-14(11,12)13/h9-10H,1-7H2,(H,11,12,13)
    • InChI Key: PDFGVCYGRLLUDE-UHFFFAOYSA-N
    • SMILES: S(CCCN(CCO)CCO)(=O)(=O)O

Computed Properties

  • Exact Mass: 227.08281
  • Monoisotopic Mass: 227.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 217
  • 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: -4.1
  • Topological Polar Surface Area: 106?2

Experimental Properties

  • Density: 1.378
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.54
  • PSA: 98.07

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