Pentane, 1-isocyanato-
1-isocyanatopentane
Also Known As: Pentyl isocyanate|1-isocyanatopentane|pentylisocyanate|Pentane, 1-isocyanato-|1-Pentyl isocyanate|n-Pentyl isocyanate|Amylisocyanat|n-pentylisocyanate|1-isocyanato-pentane|ACMC-1CLHG|Pentyl isocyanate, 98%|1-Pentyl isocyanate, 97%|Pentyl isocyanate, 98% - 1G 1g|J1.517.140E|11336-EP2316825A1|11336-EP2316827A1|I14-90995|626-033-6
CAS: 3954-13-0
| Molecular Formula | C6H11NO |
|---|---|
| Molecular Weight | 113.08406 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 113.08406 |
| Monoisotopic Mass | 113.08406 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 3954-13-0 |
|---|---|
| SMILES | CCCCCN=C=O |
| InChIKey | VRVUKQWNRPNACD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (251 patents)
Analytical Reagents (34 patents)
Biotechnology (32 patents)
Catalysts (18 patents)
Coatings & Adhesives (74 patents)
Construction Chemicals (10 patents)
Dyes & Pigments (10 patents)
Electronic Chemicals (9 patents)
Food Additives (4 patents)
Heterocyclic Building Blocks (2635 patents)
Lubricants & Additives (13 patents)
Organic Building Blocks (745 patents)
Organometallic Reagents (60 patents)
Paper Chemicals (1 patents)
Peptides & Amino Acids (48 patents)
Pharmaceutical Intermediates (1931 patents)
Photographic Chemicals (94 patents)
Plastic Additives (68 patents)
Polymer Intermediates (571 patents)
Specialty Chemicals (24 patents)
Surfactants & Detergents (15 patents)
Textile Chemicals (20 patents)
Product Overview
Pentane, 1-isocyanato- (CAS 3954-13-0), with molecular formula C6H11NO and molecular weight 113.08406 g/mol. IUPAC: 1-isocyanatopentane.
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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