Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.Cl |
|---|---|
| IUPAC Name | ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride |
| InChIKey | LMAQHEGFQZGATE-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H |
| Isómeros SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.Cl |
| RTECS | XJ9088600 |
| PubChem CID | 134896 |
| Peso molecular | 352.88 |
| Reaxy-Rn | 13518040 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | 3,4,5-trisubstituted-2-aminothiophenes Benzylamines Phenylmethylamines Thiophene carboxylic acids and derivatives Aralkylamines Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Benzylamine - Phenylmethylamine - Thiophene carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrochloride - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Solubilidad | DMSO: 18 mg/mL (51.01 mM);Ethanol:2 mg/mL (5.67 mM);Water: Insoluble |
|---|---|
| Sensibilidad | Air Sensitive,Hygroscopic |
| Peso molecular | 352.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 352.101 Da |
| Monoisotopic Mass | 352.101 Da |
| Topological Polar Surface Area | 83.800 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| 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 |