Cas no 103683-19-8 (1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt)

1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt structure
103683-19-8 structure
Product Name:1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
CAS No:103683-19-8
MF:C27H56N2O4S
MW:504.809547424316
CID:125782
PubChem ID:2724494
Update Time:2025-04-18

1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt Chemical and Physical Properties

Names and Identifiers

    • 1-Octadecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
    • AMMONIUM SULFOBETAINE-2, TECH., 90
    • Ammonium sulfobetaine-2,tech.
    • AMMONIUM SULFOBETAINE-2.,90
    • Ammoniumsulairetaine-2tech.
    • AMMONIUM SULFOBETAINE-2., 90
    • Ammoniumsulairetaine-2tech.90%
    • Ammonium sulfobetaine-2,90%,tech.
    • Ammonium sulfobetaine-2, tech., 90%
    • Ammonium sulfobetaine-2, 2.5% solution in water
    • AKOS015903921
    • 3-[acetyl-[2-[dimethyl(octadecyl)azaniumyl]ethyl]amino]propane-1-sulfonate
    • Ammonium sulfobetaine-2,tech.,90
    • 103683-19-8
    • Inchi: 1S/C27H56N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(3,4)25-23-28(27(2)30)22-21-26-34(31,32)33/h5-26H2,1-4H3
    • InChI Key: RHUVRHBLSZCMHE-UHFFFAOYSA-N
    • SMILES: S(CCCN(C(C)=O)CC[N+](C)(C)CCCCCCCCCCCCCCCCCC)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 504.39600
  • Monoisotopic Mass: 504.396
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 23
  • Complexity: 575
  • 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
  • Topological Polar Surface Area: 85.9A^2
  • XLogP3: 7.8

Experimental Properties

  • Color/Form: Not available
  • PSA: 85.89000
  • LogP: 7.18890
  • Solubility: Not available
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