Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads 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.
| Sonrisas canónicas | CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC |
|---|---|
| IUPAC Name | 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole |
| InChIKey | XYYVPBBISSKKQB-UHFFFAOYSA-N |
| INCHI | 1S/C13H12N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-7,15H,1-2H3 |
| Isómeros SMILES | CC1=NC=CC2=C1NC3=C2C=C(C=C3)OC |
| CAS alternativo | 3589-72-8 |
| Número NSC | 92536 |
| Peso molecular | 212.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Clase | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Beta carbolines Indoles Anisoles Methylpyridines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harman - Beta-carboline - Pyridoindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
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| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 212.250 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.095 Da |
| Monoisotopic Mass | 212.095 Da |
| Topological Polar Surface Area | 37.900 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 |