1-Propanaminium, N-ethyl-3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]-N,N-dimethyl-, ethyl sulfate (1:1)

CAS Registry Number®

112324-16-0
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CAS Name

1-Propanaminium, N-ethyl-3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]-N,N-dimethyl-, ethyl sulfate (1:1)

Molecular Formula

C25H51N2O2.C2H5O4S

Cite this Page

1-Propanaminium, N-ethyl-3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]-N,N-dimethyl-, ethyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=112324-16-0 (retrieved 2024-04-23) (CAS RN: 112324-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H50N2O2.C2H6O4S/c1-5-7-8-15-19-24(28)20-16-13-11-9-10-12-14-17-21-25(29)26-22-18-23-27(3,4)6-2;1-2-6-7(3,4)5/h13,16,24,28H,5-12,14-15,17-23H2,1-4H3;2H2,1H3,(H,3,4,5)/b16-13-;/t24-;/m1./s1

InChIKey

InChIKey=VDNMPXDJBJILBP-UNUNFZTGSA-N

SMILES

C(NCCC[N+](CC)(C)C)(CCCCCCC/C=C\C[C@@H](CCCCCC)O)=O.O(S(=O)(=O)[O-])CC

Canonical SMILES

O=C(NCCC[N+](C)(C)CC)CCCCCCCC=CCC(O)CCCCCC.O=S(=O)([O-])OCC

Other Names for this Substance

  • 1-Propanaminium, N-ethyl-3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecen-1-yl]amino]-N,N-dimethyl-, ethyl sulfate (1:1)
  • 1-Propanaminium, N-ethyl-3-[[(9Z,12R)-12-hydroxy-1-oxo-9-octadecenyl]amino]-N,N-dimethyl-, ethyl sulfate (salt)
  • Sulfuric acid, monoethyl ester, ion(1-), [R-(Z)]-N-ethyl-3-[(12-hydroxy-1-oxo-9-octadecenyl)amino]-N,N-dimethyl-1-propanaminium
  • Surfactol Q 4
  • Lipoquat R

Deleted or Replaced CAS Registry Numbers

860304-12-7, 860304-11-6

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