≥95% 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.
| Canonical Smiles | CC(=O)NCCC1=C(NC2=CC=CC=C21)Br |
|---|---|
| IUPAC Name | N-[2-(2-bromo-1H-indol-3-yl)ethyl]acetamide |
| InChIKey | VWROPIZBUMLVHL-UHFFFAOYSA-N |
| INCHI | 1S/C12H13BrN2O/c1-8(16)14-7-6-10-9-4-2-3-5-11(9)15-12(10)13/h2-5,15H,6-7H2,1H3,(H,14,16) |
| Isomeric SMILES | CC(=O)NCCC1=C(NC2=CC=CC=C21)Br |
| PubChem CID | 21736372 |
| Molecular Weight | 281.16 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides - Acetamides |
| Direct Parent | N-acetyl-2-arylethylamines |
| Alternative Parents | 3-alkylindoles Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-acetyl-2-arylethylamine - 3-alkylindole - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 281.150 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 280.021 Da |
| Monoisotopic Mass | 280.021 Da |
| Topological Polar Surface Area | 44.900 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 | 1 |
