Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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=NCCC2=C1NC3=C2C=CC(=C3)OC |
|---|---|
| IUPAC Name | 7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole |
| InChIKey | RERZNCLIYCABFS-UHFFFAOYSA-N |
| INCHI | 1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3 |
| Isomeric SMILES | CC1=NCCC2=C1NC3=C2C=CC(=C3)OC |
| WGK Germany | 3 |
| RTECS | UU9800000 |
| Alternate CAS | 6027-98-1 |
| Molecular Weight | 214.27 |
| Beilstein | 207310 |
| Reaxy-Rn | 207310 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=207310&ln= |
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 | Alkaloids and derivatives |
| Class | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Beta carbolines 3-alkylindoles Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harmaline - Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organopnictogen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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 | an alkaloid |
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| Melt Point(°C) | 251°C(lit.) |
|---|---|
| Molecular Weight | 214.260 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.111 Da |
| Monoisotopic Mass | 214.111 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |