≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC(CCC1=NC2=C(N1)C=C(C=C2)C(=O)O)O.Cl |
|---|---|
| IUPAC Name | 2-(3-hydroxybutyl)-3H-benzimidazole-5-carboxylic acid;hydrochloride |
| InChIKey | WSANFRRODFJALD-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N2O3.ClH/c1-7(15)2-5-11-13-9-4-3-8(12(16)17)6-10(9)14-11;/h3-4,6-7,15H,2,5H2,1H3,(H,13,14)(H,16,17);1H |
| Isomeric SMILES | CC(CCC1=NC2=C(N1)C=C(C=C2)C(=O)O)O.Cl |
| PubChem CID | 6603131 |
| Molecular Weight | 270.72 |
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 | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Benzenoids Imidazoles Heteroaromatic compounds Secondary alcohols Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrochloride - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Molecular Weight | 270.710 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 270.077 Da |
| Monoisotopic Mass | 270.077 Da |
| Topological Polar Surface Area | 86.200 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 | 2 |
