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| Catalog Number | CI-SC-1264 |
| Product Name | Denatonium Benzoate |
| CAS | 3734-33-6 |
| Structure |  |
| Synonyms | Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate |
| IUPAC Name | benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate |
| Molecular Weight | 446.6 g/mol |
| Molecular Formula | C28H34N2O3 |
| 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) |
| InChI Key | VWTINHYPRWEBQY-UHFFFAOYSA-N |
| Boiling Point | 556 °C |
| Melting Point | 164-168 °C |
| Purity | 95% |
| Density | 1.13 g/mL |
| Appearance | Solid |
| Highest Usage In Residency Products | 0.04 |
| Isomeric SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-] |
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