≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CN1C=C(N=C1)C#N |
|---|---|
| IUPAC Name | 1-methylimidazole-4-carbonitrile |
| InChIKey | LAKVILSENFFPRR-UHFFFAOYSA-N |
| INCHI | 1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 |
| Isomeric SMILES | CN1C=C(N=C1)C#N |
| Molecular Weight | 107.116 |
| Reaxy-Rn | 636446 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636446&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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | N-substituted imidazoles |
| Alternative Parents | Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-substituted imidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. |
| 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 |
|---|---|---|---|
 K2420463 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| K2420464 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| K2420467 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| K2420470 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| K2420471 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| K2420472 | Certificate of Analysis | Jul 23, 2024 | M177096 |
| Molecular Weight | 107.110 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 107.048 Da |
| Monoisotopic Mass | 107.048 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| 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 |
