3-(2-Methylpyrimidin-4-yl)benzonitrile
3-(2-methylpyrimidin-4-yl)benzonitrile
Also Known As: 3-(2-methylpyrimidin-4-yl)benzonitrile|ASN 15417182|3-Methyl-3,9-diazaspiro[5,5]undecane|3-(2-Methyl-pyrimidin-4-yl)-benzonitrile
CAS: 879072-98-7
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.07965 g/mol |
| LogP | 2.3237 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.07965 |
| Monoisotopic Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 526.3856 |
Chemical Identifiers
| CAS Number | 879072-98-7 |
|---|---|
| SMILES | CC1=NC=CC(=N1)C2=CC=CC(=C2)C#N |
Product Overview
3-(2-Methylpyrimidin-4-yl)benzonitrile (CAS 879072-98-7), with molecular formula C12H9N3 and molecular weight 195.07965 g/mol. IUPAC: 3-(2-methylpyrimidin-4-yl)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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