(3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate
(3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate
Also Known As: 4-Acetoxy-3,3-dimethyl-3,4-dihydroisoquinoline N-oxide|3,4-Dihydro-3,3-dimethyl-4-isoquinolinol acetate (ester) 2-oxide|4-Acetoxy-3,4-dihydro-3,3-dimethylisoquinoline 2-oxide|(3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate|4-Isoquinolinol, 3,4-dihydro-3,3-dimethyl-, acetate (ester), 2-oxide|4-(acetyloxy)-3,3-dimethyl-3,4-dihydroisoquinolin-2-ium-2-olate
CAS: 184375-99-3
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.1052 g/mol |
| LogP | 2.0122 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.1052 |
| Monoisotopic Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 491.19287 |
Chemical Identifiers
| CAS Number | 184375-99-3 |
|---|---|
| SMILES | CC(=O)OC1C2=CC=CC=C2C=[N+](C1(C)C)[O-] |
Product Overview
(3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate (CAS 184375-99-3), with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol. IUPAC: (3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium-4-yl) acetate.
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.
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