≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CN1CCC2=CC=CC=C2C(C1=O)N.Cl |
|---|---|
| IUPAC Name | (5S)-5-amino-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride |
| InChIKey | SZVBAHZVILUGKF-PPHPATTJSA-N |
| INCHI | 1S/C11H14N2O.ClH/c1-13-7-6-8-4-2-3-5-9(8)10(12)11(13)14;/h2-5,10H,6-7,12H2,1H3;1H/t10-;/m0./s1 |
| Isómeros SMILES | CN1CCC2=CC=CC=C2[C@@H](C1=O)N.Cl |
| PubChem CID | 44178389 |
| Peso molecular | 226.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | Alpha amino acids and derivatives Azepines Aralkylamines Benzenoids Tertiary carboxylic acid amides Tertiary amines Lactams Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Alpha-amino acid or derivatives - Azepine - Aralkylamine - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
| External Descriptors | Not available |
| Peso molecular | 226.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 226.087 Da |
| Monoisotopic Mass | 226.087 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(S)-1-Amino-3-methyl-4，5-dihydro-1H-benzo[d]azepin-2(3H)-onehydrochloride - ≥98% CAS No(425663-71-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/7/A732050.jpg)