3-Methyl-2,2-di(propan-2-yl)butanenitrile
3-methyl-2,2-di(propan-2-yl)butanenitrile
Also Known As: 3-methyl-2,2-di(propan-2-yl)butanenitrile|2,2-diisopropyl-3-methyl-butyronitrile|3-methyl-2,2-dipropan-2-yl-butanenitrile
CAS: 6342-39-8
| Molecular Formula | C11H21N |
|---|---|
| Molecular Weight | 167.1674 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.1674 |
| Monoisotopic Mass | 167.1674 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 6342-39-8 |
|---|---|
| SMILES | CC(C)C(C#N)(C(C)C)C(C)C |
| InChIKey | RAPUVIJLMDIPPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (1 patents)
Product Overview
3-Methyl-2,2-di(propan-2-yl)butanenitrile (CAS 6342-39-8), with molecular formula C11H21N and molecular weight 167.1674 g/mol. IUPAC: 3-methyl-2,2-di(propan-2-yl)butanenitrile.
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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