Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged,Desiccated 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 | CCNC1=CC=C(C=C1)C#N |
|---|---|
| IUPAC Name | 4-(ethylamino)benzonitrile |
| InChIKey | SDEKOWFEFINMCS-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6,11H,2H2,1H3 |
| Isomeric SMILES | CCNC1=CC=C(C=C1)C#N |
| Molecular Weight | 146.19 |
| Reaxy-Rn | 2802903 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802903&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Nitriles Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalkylamine - Aniline or substituted anilines - Benzonitrile - Secondary aliphatic/aromatic amine - Secondary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Molecular Weight | 146.190 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 146.084 Da |
| Monoisotopic Mass | 146.084 Da |
| Topological Polar Surface Area | 35.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 148.000 |
| 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 |