4-(Isoquinolin-1-ylmethyl)benzonitrile
4-(isoquinolin-1-ylmethyl)benzonitrile
Also Known As: 1-(4-cyanobenzyl)isoquinoline|4-(isoquinolin-1-ylmethyl)benzonitrile|4-[(isoquinolin-1-yl)methyl]benzonitrile|Benzonitrile, 4-(1-isoquinolinylmethyl)-|J2.519.765H
CAS: 98662-08-9
| Molecular Formula | C17H12N2 |
|---|---|
| Molecular Weight | 244.10005 g/mol |
| LogP | 3.69728 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.10005 |
| Monoisotopic Mass | 244.10005 |
| Heavy Atoms | 19 |
| Complexity | 746.81415 |
Chemical Identifiers
| CAS Number | 98662-08-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)C#N |
Product Overview
4-(Isoquinolin-1-ylmethyl)benzonitrile (CAS 98662-08-9), with molecular formula C17H12N2 and molecular weight 244.10005 g/mol. IUPAC: 4-(isoquinolin-1-ylmethyl)benzonitrile.
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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