≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | CC1=CC(=CC(=C1N)C)C(=O)OC |
|---|---|
| IUPAC Name | methyl 4-amino-3,5-dimethylbenzoate |
| InChIKey | ARSRTLJLMXSRPV-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,11H2,1-3H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1N)C)C(=O)OC |
| Molecular Weight | 179.22 |
| Reaxy-Rn | 2368627 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2368627&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Aminobenzoic acids and derivatives m-Xylenes Benzoyl derivatives Aniline and substituted anilines Methyl esters Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid or derivatives - Benzoate ester - M-xylene - Xylene - Benzoyl - Aniline or substituted anilines - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 B2514359 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2514365 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2514366 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2514372 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2519562 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2519563 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2519564 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| B2519565 | Certificate of Analysis | Sep 12, 2024 | M192652 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 179.220 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 179.095 Da |
| Monoisotopic Mass | 179.095 Da |
| Topological Polar Surface Area | 52.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
