| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:39:17 UTC |
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| Updated at | 2021-01-04 20:37:47 UTC |
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| CannabisDB ID | CDB005624 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2,9-dimethyl-1-azacarbazole |
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| Description | 2,9-Dimethyl-1-azacarbazole, also known as 2,9-dimethyl-alpha-carboline, belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). 2,9-Dimethyl-1-azacarbazole is a strongly basic compound. 2,9-dimethyl-1-azacarbazole is also classified as an alkylazacarbazole. 2,9-Dimethyl-1-azacarbazole is a dimethylated derivative of 1-azacarbazole. 2,9-Dimethyl-1-azacarbazole is one of several structural isomers of dimethyl-1-azacarbazole which is substituted by two methyl groups at different positions. Dimethylazacarbazoles are found in marijuana smoke ( Ref:DOI ). 2,9-dimethyl-1-azacarbazole is formed during the combustion of cannabis. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C13H12N2 |
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| Average Molecular Weight | 196.25 |
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| Monoisotopic Molecular Weight | 196.1 |
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| IUPAC Name | 2,9-dimethyl-9H-pyrido[2,3-b]indole |
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| Traditional Name | 2,9-dimethylpyrido[2,3-b]indole |
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| CAS Registry Number | Not Available |
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| SMILES | CN1C2=CC=CC=C2C2=CC=C(C)N=C12 |
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| InChI Identifier | InChI=1S/C13H12N2/c1-9-7-8-11-10-5-3-4-6-12(10)15(2)13(11)14-9/h3-8H,1-2H3 |
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| InChI Key | GMHFAIHIDCYXRY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Pyridoindoles |
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| Direct Parent | Alpha carbolines |
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| Alternative Parents | |
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| Substituents | - Alpha-carboline
- N-alkylindole
- Indole
- Pyrrolopyridine
- Methylpyridine
- Benzenoid
- Substituted pyrrole
- Pyridine
- N-methylpyrrole
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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