Isopropyl isocyanide
2-isocyanopropane
Also Known As: Isopropyl isocyanide|2-isocyanopropane|Propane, 2-isocyano-|isopropylisocyanide|isopropylisonitrile|I-PROPYLISOCYANIDE|isopropyl isonitrile|isopropylisoni-trile|2-Isocyano-propane|Isopropyl carbylamine|iso-propyl isonitrile|Propane,2-isocyano-|ACMC-20akot|1-Methyl-1-isocyanoethane|N-Boc-L-homoserine Butyl Ester|GS-0352|I14-49014|633-124-4
CAS: 598-45-8
| Molecular Formula | C4H7N |
|---|---|
| Molecular Weight | 69.057846 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.057846 |
| Monoisotopic Mass | 69.057846 |
| Heavy Atoms | 5 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 598-45-8 |
|---|---|
| SMILES | CC(C)[N+]#[C-] |
| InChIKey | MJZUMMKYWBNKIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Catalysts (9 patents)
Dyes & Pigments (9 patents)
Food Additives (1 patents)
Heterocyclic Building Blocks (116 patents)
Organic Building Blocks (53 patents)
Organometallic Reagents (34 patents)
Pharmaceutical Intermediates (51 patents)
Polymer Intermediates (44 patents)
Product Overview
Isopropyl isocyanide (CAS 598-45-8), with molecular formula C4H7N and molecular weight 69.057846 g/mol. IUPAC: 2-isocyanopropane.
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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