≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3.O.Cl.Cl |
|---|---|
| IUPAC Name | ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride |
| InChIKey | GOKCUPVWRIMFNJ-UHFFFAOYSA-N |
| INCHI | 1S/C15H18N2O3.2ClH.H2O/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17;;;/h3-4,9-10,16H,2,5-8H2,1H3;2*1H;1H2 |
| Isómeros SMILES | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3.O.Cl.Cl |
| PubChem CID | 78358096 |
| Peso molecular | 365.25 |
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 |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Furoic acid esters Benzofurans Dialkylarylamines Benzenoids Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Furan - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrochloride - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 365.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 364.096 Da |
| Monoisotopic Mass | 364.096 Da |
| Topological Polar Surface Area | 55.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| 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 | 4 |
