(5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
Also Known As: KST-1A8161|(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile|2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile|2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonit
CAS: 7713-79-3
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12119 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Monoisotopic Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7713-79-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(NCC2)CC#N)OC |
| InChIKey | KSAYFZYVVFNGIK-UHFFFAOYSA-N |
Product Overview
(5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile (CAS 7713-79-3), with molecular formula C13H16N2O2 and molecular weight 232.12119 g/mol. IUPAC: 2-(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile.
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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