4-Tert-butyl-2,6-dimethylbenzonitrile
4-tert-butyl-2,6-dimethylbenzonitrile
Also Known As: 4-tert-butyl-2,6-dimethylbenzonitrile|Maybridge1_007615|4-(tert-butyl)-2,6-dimethylbenzonitrile|HMS563C03|4-tert-butyl-2,6-dimethyl-benzonitrile|Benzonitrile,4-(1,1-dimethylethyl)-2,6-dimethyl-|SR-01000643942-1
CAS: 88166-76-1
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.1361 g/mol |
| LogP | 3.47262 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.1361 |
| Monoisotopic Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 365.67218 |
Chemical Identifiers
| CAS Number | 88166-76-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C#N)C)C(C)(C)C |
Product Overview
4-Tert-butyl-2,6-dimethylbenzonitrile (CAS 88166-76-1), with molecular formula C13H17N and molecular weight 187.1361 g/mol. IUPAC: 4-tert-butyl-2,6-dimethylbenzonitrile.
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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