≥95% 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.
| Sonrisas canónicas | CC1=CC(=C(C=C1)C)C(C)NC2=C(C=C(C=C2)C(=O)O)C |
|---|---|
| IUPAC Name | 4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzoic acid |
| InChIKey | QRRAMXGTVIWMAF-UHFFFAOYSA-N |
| INCHI | 1S/C18H21NO2/c1-11-5-6-12(2)16(9-11)14(4)19-17-8-7-15(18(20)21)10-13(17)3/h5-10,14,19H,1-4H3,(H,20,21) |
| Isómeros SMILES | CC1=CC(=C(C=C1)C)C(C)NC2=C(C=C(C=C2)C(=O)O)C |
| PubChem CID | 43736021 |
| Peso molecular | 283.36 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 p-Xylenes Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Amino acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Benzoyl - P-xylene - Xylene - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 | Not available |
| Peso molecular | 283.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 283.157 Da |
| Monoisotopic Mass | 283.157 Da |
| Topological Polar Surface Area | 49.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-{[1-(2,5-Dimethylphenyl)ethyl]amino}-3-methylbenzoic acid - ≥95% , CAS No.1157325-19-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)