Cas no 103683-18-7 (1-Dodecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt)

1-Dodecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt structure
103683-18-7 structure
Product Name:1-Dodecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
CAS No:103683-18-7
MF:C21H44N2O4S
MW:420.650065422058
CID:125781
PubChem ID:2724492
Update Time:2025-04-18

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

Names and Identifiers

    • 1-Dodecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt
    • AMMONIUM SULFOBETAINE-1, TECH., 70
    • Ammonium sulfobetaine-1,tech.
    • AMMONIUM SULFOBETAINE-1.,70
    • 1,5%solutioninwater
    • AMMONIUM SULFOBETAINE-1., 70
    • Ammonium sulfobetaine-1,70%,tech.
    • Ammonium sulfobetaine-1, tech., 70%
    • Ammonium sulfobetaine-1, 5% solution in water
    • 103683-18-7
    • 3-[acetyl-[2-[dodecyl(dimethyl)azaniumyl]ethyl]amino]propane-1-sulfonate
    • Ammonium sulfobetaine
    • Inchi: 1S/C21H44N2O4S/c1-5-6-7-8-9-10-11-12-13-14-18-23(3,4)19-17-22(21(2)24)16-15-20-28(25,26)27/h5-20H2,1-4H3
    • InChI Key: XTLJEWGAPAQKPI-UHFFFAOYSA-N
    • SMILES: S(CCCN(C(C)=O)CC[N+](C)(C)CCCCCCCCCCCC)(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 420.30200
  • Monoisotopic Mass: 420.302
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 17
  • Complexity: 488
  • 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: 4.5

Experimental Properties

  • Color/Form: Not available
  • PSA: 85.89000
  • LogP: 4.84830
  • Solubility: Not available

1-Dodecanaminium,N-[2-[acetyl(3-sulfopropyl)amino]ethyl]-N,N-dimethyl-, inner salt Related Literature

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