≥97% 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 | CCOC(=O)N1CCC2C(C1)C3=C(N2CC(=O)NC)C(=CC=C3)Br |
|---|---|
| IUPAC Name | ethyl (4aS,9bR)-6-bromo-5-[2-(methylamino)-2-oxoethyl]-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-2-carboxylate |
| InChIKey | KBVIWLNPPLXKFJ-JSGCOSHPSA-N |
| INCHI | 1S/C17H22BrN3O3/c1-3-24-17(23)20-8-7-14-12(9-20)11-5-4-6-13(18)16(11)21(14)10-15(22)19-2/h4-6,12,14H,3,7-10H2,1-2H3,(H,19,22)/t12-,14-/m0/s1 |
| Isómeros SMILES | CCOC(=O)N1CC[C@H]2[C@@H](C1)C3=C(N2CC(=O)NC)C(=CC=C3)Br |
| PubChem CID | 59317964 |
| Peso molecular | 396.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Piperidinecarboxylic acids Indoles and derivatives Dialkylarylamines Aralkylamines Benzenoids Aryl bromides Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Indole or derivatives - Piperidinecarboxylic acid - Dialkylarylamine - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Benzenoid - Carbamic acid ester - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 396.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 395.084 Da |
| Monoisotopic Mass | 395.084 Da |
| Topological Polar Surface Area | 61.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![(4aS,9bR)-Ethyl 6-bromo-5-(2-(methylamino)-2-oxoethyl)-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate - ≥97% CAS No(2098497-32-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/9/A987218.jpg)