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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC2=C(C=C1)N=C(N2)CCN.Cl.Cl |
|---|---|
| IUPAC Name | 2-(6-methoxy-1H-benzimidazol-2-yl)ethanamine;dihydrochloride |
| InChIKey | WQWSGMXWQAXJDX-UHFFFAOYSA-N |
| INCHI | 1S/C10H13N3O.2ClH/c1-14-7-2-3-8-9(6-7)13-10(12-8)4-5-11;;/h2-3,6H,4-5,11H2,1H3,(H,12,13);2*1H |
| Isómeros SMILES | COC1=CC2=C(C=C1)N=C(N2)CCN.Cl.Cl |
| PubChem CID | 45357272 |
| Peso molecular | 264.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Imidazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Anisole - Phenol ether - 2-arylethylamine - Alkyl aryl ether - Aralkylamine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Ether - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Primary amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Peso molecular | 264.150 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 263.059 Da |
| Monoisotopic Mass | 263.059 Da |
| Topological Polar Surface Area | 63.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
![2-(2-Methyl-1H-benzo[d]imidazol-1-yl)acetic acid hydrochloride - CAS No(4078-55-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M170207.png)