≥96% 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.
| Pubchem Sid | 488192714 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192714 |
| Canonical Smiles | CCC1=C(C=CC(=C1)C#N)N |
| IUPAC Name | 4-amino-3-ethylbenzonitrile |
| InChIKey | YOHLABDNVQLZIA-UHFFFAOYSA-N |
| INCHI | 1S/C9H10N2/c1-2-8-5-7(6-10)3-4-9(8)11/h3-5H,2,11H2,1H3 |
| Isomeric SMILES | CCC1=C(C=CC(=C1)C#N)N |
| Molecular Weight | 146.19 |
| Beilstein | 7526452 |
| Reaxy-Rn | 7526452 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7526452&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Aniline and substituted anilines Nitriles Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2625110 | Certificate of Analysis | Jul 02, 2026 | A121620 |
| E2203003 | Certificate of Analysis | Feb 04, 2026 | A121620 |
| E2203021 | Certificate of Analysis | Feb 04, 2026 | A121620 |
| C1322019 | Certificate of Analysis | Nov 05, 2024 | A121620 |
| L2314068 | Certificate of Analysis | Dec 27, 2023 | A121620 |
| C2302212 | Certificate of Analysis | Mar 15, 2023 | A121620 |
| C2302211 | Certificate of Analysis | Feb 15, 2022 | A121620 |
| Melt Point(°C) | 60-66°C |
|---|---|
| Molecular Weight | 146.190 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.084 Da |
| Monoisotopic Mass | 146.084 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| 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 |
