Cas no 96497-76-6 (1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy-)

1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy- structure
96497-76-6 structure
Product Name:1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy-
CAS No:96497-76-6
MF:C12H19NO4S
MW:273.348562479019
CID:806129
PubChem ID:125979
Update Time:2025-04-19

1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy-
    • 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid
    • N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
    • N-ETHYL-N-(2-HYDROXY-3-SULFOPROPYL)-m-TOLUIDINE
    • 96497-76-6
    • 1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)2-hydroxy-
    • 3-[ethyl(3-methylphenyl)amino]-2-hydroxypropane-1-sulfonic acid
    • SCHEMBL127387
    • DTXSID30868670
    • Inchi： 1S/C12H19NO4S/c1-3-13(8-12(14)9-18(15,16)17)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16,17)
    • InChI Key： ZTQGWROHRVYSPW-UHFFFAOYSA-N
    • SMILES： S(CC(CN(C1C=CC=C(C)C=1)CC)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 273.103
  • Monoisotopic Mass: 273.103
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 339
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 86.2?2

Experimental Properties

  • Density: 1.303
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.585

1-Propanesulfonic acid,3-[ethyl(3-methylphenyl)amino]-2-hydroxy- Related Literature

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