3-Methylhexanenitrile
3-methylhexanenitrile
Also Known As: 3-Methylhexanenitrile|Hexanenitrile, 3-methyl-|3-Methyl-hexannitril|l-3-Methylhexanenitrile|3-Methylhexanenitrile #
CAS: 53783-89-4
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.1048 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 111.1048 |
| Monoisotopic Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 53783-89-4 |
|---|---|
| SMILES | CCCC(C)CC#N |
| InChIKey | JDVUMGUHKLDEQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (4 patents)
Heterocyclic Building Blocks (49 patents)
Pharmaceutical Intermediates (19 patents)
Polymer Intermediates (3 patents)
Product Overview
3-Methylhexanenitrile (CAS 53783-89-4), with molecular formula C7H13N and molecular weight 111.1048 g/mol. IUPAC: 3-methylhexanenitrile.
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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