≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)CCC#N |
|---|---|
| IUPAC Name | 4-methylpentanenitrile |
| InChIKey | DUJMVKJJUANUMQ-UHFFFAOYSA-N |
| INCHI | 1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3 |
| Isomeric SMILES | CC(C)CCC#N |
| RTECS | YV8588000 |
| UN Number | 1993 |
| Packing Group | III |
| Molecular Weight | 97.16 |
| Beilstein | 2(4)946 |
| Reaxy-Rn | 1698246 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698246&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2621073 | Certificate of Analysis | Dec 06, 2024 | I157667 |
| G2516226 | Certificate of Analysis | Dec 06, 2024 | I157667 |
| G2516271 | Certificate of Analysis | Dec 06, 2024 | I157667 |
| G2516272 | Certificate of Analysis | Dec 06, 2024 | I157667 |
| H2426200 | Certificate of Analysis | Jun 26, 2024 | I157667 |
| J2428666 | Certificate of Analysis | Jun 26, 2024 | I157667 |
| J2428670 | Certificate of Analysis | Jun 26, 2024 | I157667 |
| L2304274 | Certificate of Analysis | Nov 28, 2023 | I157667 |
| L2304293 | Certificate of Analysis | Nov 28, 2023 | I157667 |
| Solubility | Insoluble in water; Miscible with Ether,Alcohol |
|---|---|
| Flash Point(°C) | 45°C(lit.) |
| Boil Point(°C) | 155°C(lit.) |
| Molecular Weight | 97.160 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 97.0891 Da |
| Monoisotopic Mass | 97.0891 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 75.400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
