10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
GPR109b agonist
| ALogP | 1.652 |
|---|---|
| Recuento HBD | 1 |
| Enlace rotable | 4 |
| Sonrisas canónicas | C1CC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-(cyclopropylamino)-3-nitrobenzoic acid |
| InChIKey | IKTICLQCJRBVRS-UHFFFAOYSA-N |
| INCHI | 1S/C10H10N2O4/c13-10(14)6-1-4-8(11-7-2-3-7)9(5-6)12(15)16/h1,4-5,7,11H,2-3H2,(H,13,14) |
| Isómeros SMILES | C1CC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| PubChem CID | 4992776 |
| Peso molecular | 222.2 |
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 | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | Aminobenzoic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Phenylalkylamines Secondary alkylarylamines Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mM) Solubilidad máxima | 10 |
|---|---|
| Peso molecular | 222.200 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.064 Da |
| Monoisotopic Mass | 222.064 Da |
| Topological Polar Surface Area | 95.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 298.000 |
| 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 |
