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| Catalog Number | CI-GU-0005 |
| Product Name | Methylbenzethonium Chloride |
| CAS | 25155-18-4 |
| Structure |  |
| Synonyms | Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride |
| IUPAC Name | benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
| Molecular Weight | 462.1 g/mol |
| Molecular Formula | C28H44ClNO2 |
| InChI | InChI=1S/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1 |
| InChI Key | QWZLBLDNRUUYQI-UHFFFAOYSA-M |
| Melting Point | 161-163 °C |
| Purity | 95% |
| Appearance | Solid |
| Isomeric SMILES | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
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