1-Methylisoquinoline 2-oxide
1-methyl-2-oxidoisoquinolin-2-ium
Also Known As: 1-Methylisoquinoline 2-oxide|1-Methylisoquinoline2-oxide|1-methyl-2-oxidoisoquinolin-2-ium|1-methylisoquinolin-2-ium-2-olate|Isoquinoline, 1-methyl-, 2-oxide
CAS: 3222-65-9
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.06842 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.06842 |
| Monoisotopic Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3222-65-9 |
|---|---|
| SMILES | CC1=[N+](C=CC2=CC=CC=C12)[O-] |
| InChIKey | HYGBKMAGLLGAHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (23 patents)
Organometallic Reagents (1 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
1-Methylisoquinoline 2-oxide (CAS 3222-65-9), with molecular formula C10H9NO and molecular weight 159.06842 g/mol. IUPAC: 1-methyl-2-oxidoisoquinolin-2-ium.
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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