3,14-Dioxa-5,12-diazahexadecane-1,16-diaminium, N1,N1,N1,N4,N4,N4-hexamethyl-4,13-dioxo-, bromide (1:2)

CAS Registry Number®

306-41-2

CAS Name

3,14-Dioxa-5,12-diazahexadecane-1,16-diaminium, N1,N1,N1,N4,N4,N4-hexamethyl-4,13-dioxo-, bromide (1:2)

Molecular Formula

C18H40N4O4.2Br

Cite this Page

3,14-Dioxa-5,12-diazahexadecane-1,16-diaminium, N1,N1,N1,N4,N4,N4-hexamethyl-4,13-dioxo-, bromide (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=306-41-2 (retrieved 2025-01-03) (CAS RN: 306-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C18H38N4O4.2BrH/c1-21(2,3)13-15-25-17(23)19-11-9-7-8-10-12-20-18(24)26-16-14-22(4,5)6;;/h7-16H2,1-6H3;2*1H

InChIKey

InChIKey=AFWBFAMUEOVLFX-UHFFFAOYSA-N

SMILES

C([N+](C)(C)C)COC(NCCCCCCNC(OCC[N+](C)(C)C)=O)=O.[Br-]

Canonical SMILES

[Br-].O=C(OCC[N+](C)(C)C)NCCCCCCNC(=O)OCC[N+](C)(C)C

Other Names for this Substance

  • 3,14-Dioxa-5,12-diazahexadecane-1,16-diaminium, N1,N1,N1,N4,N4,N4-hexamethyl-4,13-dioxo-, bromide (1:2)
  • Choline, bromide, hexamethylenedicarbamate (2:1)
  • 3,14-Dioxa-5,12-diazahexadecane-1,16-diaminium, N,N,N,N′,N′,N′-hexamethyl-4,13-dioxo-, dibromide
  • Choline, bromide hexamethylenedicarbamate
  • Hexcarbacholine bromide

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