CAS Registry Number®
3734-33-6
CAS Name
Denatonium benzoate
Molecular Formula
C21H29N2O.C7H5O2
Compound Properties
-
Melting Point (1)
168 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C21H28N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
InChIKey
InChIKey=VWTINHYPRWEBQY-UHFFFAOYSA-N
SMILES
C([O-])(=O)C1=CC=CC=C1.[N+](CC1=CC=CC=C1)(CC(NC2=C(C)C=CC=C2C)=O)(CC)CC
Canonical SMILES
O=C([O-])C=1C=CC=CC1.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-, benzoate (1:1)
- Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate
- Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate
- Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate
- THS 839
- Bitrex
- Denatonium benzoate
- Win 16568
- Lignocaine benzyl benzoate
- Anispray
- Gori
- ECX 95BY
- NSC 157658
- N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate
- Aversion
- Bitterant Bitrex PG
