2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
2-(3-methoxyphenyl)ethyl-trimethylazanium;4-methylbenzenesulfonate
Also Known As: Emilium tosylate|2-(3-methoxyphenyl)ethyl-trimethylazanium; 4-methylbenzenesulfonate|2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate
CAS: 30716-01-9
| Molecular Formula | C19H27NO4S |
|---|---|
| Molecular Weight | 365.16608 g/mol |
| LogP | 2.84302 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.16608 |
| Monoisotopic Mass | 365.16608 |
| Heavy Atoms | 25 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 30716-01-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCC1=CC(=CC=C1)OC |
| InChIKey | DPBPCMPCBNIVPI-UHFFFAOYSA-M |
Product Overview
2-(3-Methoxyphenyl)-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate (CAS 30716-01-9), with molecular formula C19H27NO4S and molecular weight 365.16608 g/mol. IUPAC: 2-(3-methoxyphenyl)ethyl-trimethylazanium;4-methylbenzenesulfonate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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