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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CNCCC1C2=NC3=C(N2)C=C(C=C3)Cl.Cl.Cl |
|---|---|
| IUPAC Name | 6-chloro-2-piperidin-4-yl-1H-benzimidazole;dihydrochloride |
| InChIKey | WJXXZXXHZJYMIZ-UHFFFAOYSA-N |
| INCHI | 1S/C12H14ClN3.2ClH/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;;/h1-2,7-8,14H,3-6H2,(H,15,16);2*1H |
| Molecular Weight | 308.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Aralkylamines Piperidines Benzenoids Aryl chlorides Imidazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - 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 | 308.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 307.041 Da |
| Monoisotopic Mass | 307.041 Da |
| Topological Polar Surface Area | 40.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 | 3 |