3-Methyl-1-isoquinolinecarbonitrile
3-methylisoquinoline-1-carbonitrile
Also Known As: 3-Methyl-1-isoquinolinecarbonitrile|3-methylisoquinoline-1-carbonitrile|Isoquinaldonitrile, 3-methyl-|3-Methylisoquinaldonitrile|1-Isoquinolinecarbonitrile, 3-methyl-|3-Methyl-1-isoquinolinecarbonitrile #
CAS: 22381-52-8
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.06874 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 |
| Monoisotopic Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 22381-52-8 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C(=N1)C#N |
| InChIKey | WYQGDQMTXPFAFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
3-Methyl-1-isoquinolinecarbonitrile (CAS 22381-52-8), with molecular formula C11H8N2 and molecular weight 168.06874 g/mol. IUPAC: 3-methylisoquinoline-1-carbonitrile.
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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