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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC1=CNC2=CC=CC=C21 |
|---|---|
| IUPAC Name | 3-ethyl-1H-indole |
| InChIKey | GOVXKUCVZUROAN-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,11H,2H2,1H3 |
| Isomeric SMILES | CCC1=CNC2=CC=CC=C21 |
| PubChem CID | 324305 |
| Molecular Weight | 145.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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 |
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| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 | |
| Certificate of Analysis | May 13, 2025 | E697387 |
| Molecular Weight | 145.200 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 145.089 Da |
| Monoisotopic Mass | 145.089 Da |
| Topological Polar Surface Area | 15.800 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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 |