| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:59:19 UTC |
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| Updated at | 2021-01-04 18:49:22 UTC |
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| CannabisDB ID | CDB005815 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,6-Dimethylcarbazole |
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| Description | 3,6-Dimethylcarbazole also known as 3,6-Dimethyl-9H-carbazole is a dimethylated derivative of carbazole in which two mwthyl substituents positioning on C-3 and C-6 of carbazole. 3,6-Dimethylcarbazole belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three-ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazole is a tricyclic aromatic hydrocarbon consisting of two six-membered benzene rings fused on either side of a five-membered nitrogen-containing ring. 3,6-Dimethylcarbazole is one of several structural isomers of dimethyl carbazole wherein two methyl groups are substituted at different positions of carbazole. Dimethylcarbazoles are found in cannabis smoke. 3,6-Dimethyl-carbazole is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C14H13N |
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| Average Molecular Weight | 195.27 |
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| Monoisotopic Molecular Weight | 195.1048 |
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| IUPAC Name | 3,6-dimethyl-9H-carbazole |
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| Traditional Name | 3,6-dimethyl-9H-carbazole |
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| CAS Registry Number | 5599-50-8 |
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| SMILES | CC1=CC=C2NC3=C(C=C(C)C=C3)C2=C1 |
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| InChI Identifier | InChI=1S/C14H13N/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-8,15H,1-2H3 |
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| InChI Key | HNACKJNPFWWEKI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 3,6-Dimethylcarbazole, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | Not Available |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 527595 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 606965 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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