≥98% 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 | 488196015 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196015 |
| Canonical Smiles | CC1=C(C=CC(=C1)C#N)N |
| IUPAC Name | 4-amino-3-methylbenzonitrile |
| InChIKey | MBZDCUMFFPWLTJ-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)C#N)N |
| Molecular Weight | 132.17 |
| Beilstein | 3235728 |
| Reaxy-Rn | 3235728 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235728&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 Aminotoluenes Nitriles Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminotoluene - Aniline or substituted anilines - Benzonitrile - Toluene - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - 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 |
|---|---|---|---|
 C1807156 | Certificate of Analysis | Oct 14, 2025 | A121619 |
| C1807155 | Certificate of Analysis | Oct 14, 2025 | A121619 |
| A1817043 | Certificate of Analysis | Aug 18, 2025 | A121619 |
| C2302213 | Certificate of Analysis | Mar 15, 2023 | A121619 |
| Sensitivity | Air sensitive |
|---|---|
| Melt Point(°C) | 93°C |
| Molecular Weight | 132.160 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 132.069 Da |
| Monoisotopic Mass | 132.069 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| 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 |
