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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.
| Sonrisas canónicas | C1N(CN2C3=CC=CC=C3N=C2N1CCO)CCC4=CC=CC=C4 |
|---|---|
| IUPAC Name | 2-[3-(2-phenylethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-1-yl]ethanol |
| InChIKey | ZZQJQHUOKKNPAN-UHFFFAOYSA-N |
| INCHI | 1S/C19H22N4O/c24-13-12-22-14-21(11-10-16-6-2-1-3-7-16)15-23-18-9-5-4-8-17(18)20-19(22)23/h1-9,24H,10-15H2 |
| Isómeros SMILES | C1N(CN2C3=CC=CC=C3N=C2N1CCO)CCC4=CC=CC=C4 |
| CAS alternativo | 1306739-83-2 |
| PubChem CID | 56760881 |
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 | Dialkylarylamines N-substituted imidazoles Benzene and substituted derivatives 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Dialkylarylamine - Monocyclic benzene moiety - N-substituted imidazole - Triazine - Benzenoid - 1,3,5-triazine - Imidazole - Azole - Heteroaromatic compound - Tertiary amine - Alkanolamine - Azacycle - Amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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 | 322.400 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 322.179 Da |
| Monoisotopic Mass | 322.179 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 401.000 |
| 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 |
![2-[3-(2-phenylethyl)-3,4-dihydro[1,3,5]triazino[1,2-a]benzimidazol-1(2H)-yl]ethanol , CAS No.1306739-83-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)