| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:59:25 UTC |
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| Updated at | 2021-01-04 18:49:23 UTC |
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| CannabisDB ID | CDB005816 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 9-Ethylcarbazole |
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| Description | N-Ethylcarbazole or 9-Ethylcarbazole also known as 9-Ethyl-9H-carbazole is an ethylated derivative of carbazole in which the ethyl substituent positioning on the nitrogen of carbazole. N-Ethylcarbazole 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. N-Ethylcarbazole is one of several structural isomers of Ethylcarbazole wherein the ethyl group is substituted at different positions of carbazole. N-Ethylcarbazole appears as a white to grey crystalline powder that is insoluble in water. N-Ethylcarbazole is used as an intermediate for dyes, pharmaceuticals and agricultural chemicals. It can also be used as a plasticizer in guest-host polymers to yield highly efficient photorefractive polymer composites. Ethylcarbazoles are found in cannabis smoke. N-Ethylcarbazole is formed during the combustion of cannabis ( Ref:DOI ). N-Ethylcarbazole is a neutral compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| N-Ethyl carbazole | MeSH |
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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 | 9-ethyl-9H-carbazole |
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| Traditional Name | N-ethylcarbazol |
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| CAS Registry Number | 86-28-2 |
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| SMILES | CCN1C2=CC=CC=C2C2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C14H13N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H,2H2,1H3 |
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| InChI Key | PLAZXGNBGZYJSA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | 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. |
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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 | Carbazoles |
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| Direct Parent | Carbazoles |
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| Alternative Parents | |
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| Substituents | - Carbazole
- N-alkylindole
- Indole
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- 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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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-3f22f307b0ed4ec40f4e | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-0900000000-8b60450f35a5a488ae4d | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-014i-1900000000-2e8bb24fac600f761ddb | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-8107dd367debd426d6eb | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-958c2fe768ac4a38100f | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-0900000000-8a10732e513ed138d39a | 2016-08-03 | View Spectrum |
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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 | Not Available |
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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 | 6836 |
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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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