≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
| ALogP | 1.8 |
|---|
| Pubchem Sid | 528760198 |
|---|---|
| Canonical Smiles | CCCCOC1=C(C=CC(=C1)C(=O)O)N |
| IUPAC Name | 4-amino-3-butoxybenzoic acid |
| InChIKey | HXPQKILUHVHNEE-UHFFFAOYSA-N |
| INCHI | 1S/C11H15NO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H,13,14) |
| Isomeric SMILES | CCCCOC1=C(C=CC(=C1)C(=O)O)N |
| Molecular Weight | 209.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Aminophenyl ethers Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Amino acids Carboxylic acids Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminobenzoic acid - Aminophenyl ether - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Amino acid or derivatives - Amino acid - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - 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 | 209.240 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 209.105 Da |
| Monoisotopic Mass | 209.105 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| 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 |
H2528137