≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Desiccated 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.
| Canonical Smiles | C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.O.O.Cl |
|---|---|
| IUPAC Name | 3-aminophthalic acid;dihydrate;hydrochloride |
| InChIKey | GAGXHHKKTRKNAN-UHFFFAOYSA-N |
| INCHI | 1S/C8H7NO4.ClH.2H2O/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;;;/h1-3H,9H2,(H,10,11)(H,12,13);1H;2*1H2 |
| Isomeric SMILES | C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.O.O.Cl |
| PubChem CID | 71433094 |
| Molecular Weight | 253.64 |
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 | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzoic acids |
| Alternative Parents | Benzoic acids Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Amino acids Carboxylic acids Primary amines Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 253.640 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.035 Da |
| Monoisotopic Mass | 253.035 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 | 4 |
