≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)Cl |
|---|---|
| IUPAC Name | 6-chloro-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| InChIKey | HXOMGWYMKDFJHO-UHFFFAOYSA-N |
| INCHI | 1S/C18H17ClN2/c1-11-2-4-12(5-3-11)17-18-14(8-9-20-17)15-10-13(19)6-7-16(15)21-18/h2-7,10,17,20-21H,8-9H2,1H3 |
| Molecular Weight | 296.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Beta carbolines 3-alkylindoles Toluenes Aralkylamines Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. |
| External Descriptors | Not available |
| Molecular Weight | 296.800 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 296.108 Da |
| Monoisotopic Mass | 296.108 Da |
| Topological Polar Surface Area | 27.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
