Denatonium chloride

CAS Registry Number®

1674-99-3

CAS Name

Denatonium chloride

Molecular Formula

C21H29N2O.Cl

Cite this Page

Denatonium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1674-99-3 (retrieved 2024-11-21) (CAS RN: 1674-99-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28N2O.ClH/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;/h7-14H,5-6,15-16H2,1-4H3;1H

InChIKey

InChIKey=YNQALPDYZRNHNK-UHFFFAOYSA-N

SMILES

[N+](CC1=CC=CC=C1)(CC(NC2=C(C)C=CC=C2C)=O)(CC)CC.[Cl-]

Canonical SMILES

[Cl-].O=C(NC=1C(=CC=CC1C)C)C[N+](CC=2C=CC=CC2)(CC)CC

Other Names for this Substance

  • Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, chloride (1:1)
  • Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, chloride
  • Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, chloride
  • Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium chloride
  • Denatonium chloride

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration