498-77-1
| Name | BENZETHONIUM HYDROXIDE |
| CAS | 498-77-1 |
| Molecular Formula | C27H42NO2+ |
| MDL Number | MFCD00133119 |
| Molecular Weight | 412.63 |
| MOL File | 498-77-1.mol |
Chemical Properties
| Fp | 11 °C |
| storage temp. | 2-8°C |
| form | liquid |
| BRN | 3915309 |
| InChI | 1S/C27H42NO2.H2O/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;1H2/q+1;/p-1 |
| InChIKey | USLZJBWCHRRIAQ-UHFFFAOYSA-M |
| SMILES | [OH-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 |