≥96% 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)N1C=C(C2=C1C=CC(=C2)Br)CC3CCCN3C |
|---|---|
| IUPAC Name | 1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone |
| InChIKey | PIIFSFIOOCHDIK-CQSZACIVSA-N |
| INCHI | 1S/C16H19BrN2O/c1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t14-/m1/s1 |
| Isomeric SMILES | CC(=O)N1C=C(C2=C1C=CC(=C2)Br)C[C@H]3CCCN3C |
| PubChem CID | 11771997 |
| Molecular Weight | 335.25 |
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 |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Aralkylamines Substituted pyrroles N-alkylpyrrolidines Benzenoids Aryl bromides Heteroaromatic compounds Acetamides Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Aralkylamine - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Heteroaromatic compound - Acetamide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 335.240 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 334.068 Da |
| Monoisotopic Mass | 334.068 Da |
| Topological Polar Surface Area | 25.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 375.000 |
| 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 | 1 |
