1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1)

CAS Registry Number®

18602-17-0
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CAS Name

1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1)

Molecular Formula

C20H44NO4.CH3O4S

Cite this Page

1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18602-17-0 (retrieved 2024-07-07) (CAS RN: 18602-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    59-60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H44NO4.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-17-25-19-20(24)18-21(2,13-15-22)14-16-23;1-5-6(2,3)4/h20,22-24H,3-19H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=PHLIZCDUCLCAEQ-UHFFFAOYSA-M

SMILES

[N+](CC(COCCCCCCCCCCCC)O)(CCO)(CCO)C.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=S(=O)([O-])OC.OCC[N+](C)(CCO)CC(O)COCCCCCCCCCCCC

Other Names for this Substance

  • 1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (1:1)
  • Ammonium, [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methyl-, methyl sulfate (salt)
  • 1-Propanaminium, 3-(dodecyloxy)-2-hydroxy-N,N-bis(2-hydroxyethyl)-N-methyl-, methyl sulfate (salt)
  • [3-(Dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium methosulfate
  • N-(3-Dodecyloxy-2-hydroxypropyl)-N,N-bis(2-hydroxyethyl)methylammonium methyl sulfate

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Deleted or Replaced CAS Registry Numbers

71767-57-2, 82905-11-1