Benzethonium chloride

CAS Registry Number®

121-54-0
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CAS Name

Benzethonium chloride

Molecular Formula

C27H42NO2.Cl

Cite this Page

Benzethonium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=121-54-0 (retrieved 2022-12-04) (CAS RN: 121-54-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-166 °C

Source(s)

  • (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChIKey

InChIKey=UREZNYTWGJKWBI-UHFFFAOYSA-M

SMILES

C(CC(C)(C)C)(C)(C)C1=CC=C(OCCOCC[N+](CC2=CC=CC=C2)(C)C)C=C1.[Cl-]

Canonical SMILES

[Cl-].O(C1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CCOCC[N+](C)(C)CC=2C=CC=CC2

Other Names for this Substance

  • Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
  • Ammonium, benzyldimethyl[2-[2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
  • Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride
  • Benzethonium chloride
  • Benzetonium chloride

Deleted or Replaced CAS Registry Numbers

39362-38-4, 324034-09-5