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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 | CCOC(=O)C1=C2CNCCN2C=N1.Cl |
|---|---|
| IUPAC Name | ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;hydrochloride |
| InChIKey | LYXIWXDEKFMUBG-UHFFFAOYSA-N |
| INCHI | 1S/C9H13N3O2.ClH/c1-2-14-9(13)8-7-5-10-3-4-12(7)6-11-8;/h6,10H,2-5H2,1H3;1H |
| Molecular Weight | 231.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | Aralkylamines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazole-4-carbonyl group - Aralkylamine - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| External Descriptors | Not available |
| Molecular Weight | 231.680 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.077 Da |
| Monoisotopic Mass | 231.077 Da |
| Topological Polar Surface Area | 56.200 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 | 2 |