1-Octadecanaminium, N,N-bis(2-hydroxypropyl)-N-methyl-, methyl sulfate (1:1)

CAS Registry Number®

85712-01-2
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CAS Name

1-Octadecanaminium, N,N-bis(2-hydroxypropyl)-N-methyl-, methyl sulfate (1:1)

Molecular Formula

C25H54NO2.CH3O4S

Cite this Page

1-Octadecanaminium, N,N-bis(2-hydroxypropyl)-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=85712-01-2 (retrieved 2024-09-20) (CAS RN: 85712-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H54NO2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(4,22-24(2)27)23-25(3)28;1-5-6(2,3)4/h24-25,27-28H,5-23H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=TYNVPDPVWNMOPB-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1-Octadecanaminium, N,N-bis(2-hydroxypropyl)-N-methyl-, methyl sulfate (1:1)
  • 1-Octadecanaminium, N,N-bis(2-hydroxypropyl)-N-methyl-, methyl sulfate (salt)