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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | CN1C2=C(CNCC2)C3=C1C=CC(=C3)OC |
|---|---|
| IUPAC Name | 8-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole |
| InChIKey | MCBYMISJQYDUKV-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O/c1-15-12-4-3-9(16-2)7-10(12)11-8-14-6-5-13(11)15/h3-4,7,14H,5-6,8H2,1-2H3 |
| Isomeric SMILES | CN1C2=C(CNCC2)C3=C1C=CC(=C3)OC |
| PubChem CID | 24206808 |
| Molecular Weight | 216.28 |
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 | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | 3-alkylindoles Anisoles Aralkylamines Alkyl aryl ethers N-methylpyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - 3-alkylindole - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - N-methylpyrrole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 216.280 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 216.126 Da |
| Monoisotopic Mass | 216.126 Da |
| Topological Polar Surface Area | 26.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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 |