Used in: 1）Regioselective Suzuki coupling 2）Preparation of inhibitors of 17β-hydroxysteroid dehydrogenase type 1 3）Preparation of boronic esters
| Pubchem Sid | 488185512 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185512 |
| Sonrisas canónicas | CC1=C(C(=CC=C1)C(=O)O)N |
| IUPAC Name | 2-amino-3-methylbenzoic acid |
| InChIKey | WNAJXPYVTFYEST-UHFFFAOYSA-N |
| INCHI | 1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| Isómeros SMILES | CC1=C(C(=CC=C1)C(=O)O)N |
| WGK Alemania | 3 |
| Peso molecular | 151.16 |
| Beilstein | 2359694 |
| Reaxy-Rn | 2359694 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2359694&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Benzoic acids Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Benzoyl - Aminotoluene - Aniline or substituted anilines - Toluene - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. |
| External Descriptors | aminobenzoic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C23031334 | Certificate of Analysis | Mar 13, 2023 | A128105 |
| C23031309 | Certificate of Analysis | Mar 13, 2023 | A128105 |
| G1515023 | Certificate of Analysis | Mar 07, 2023 | A128105 |
| E2315583 | Certificate of Analysis | Aug 01, 2022 | A128105 |
| E2315588 | Certificate of Analysis | Aug 01, 2022 | A128105 |
| J2211584 | Certificate of Analysis | Aug 01, 2022 | A128105 |
| J2211588 | Certificate of Analysis | Aug 01, 2022 | A128105 |
| J2211611 | Certificate of Analysis | Aug 01, 2022 | A128105 |
| H2203061 | Certificate of Analysis | Jun 15, 2022 | A128105 |
| Solubilidad | Solubility in Methanol almost transparency |
|---|---|
| Sensibilidad | air sensitive |
| Punto de fusión (°C) | 174-177°C |
| Peso molecular | 151.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 151.063 Da |
| Monoisotopic Mass | 151.063 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
