| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:21:05 UTC |
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| Updated at | 2021-01-04 20:37:43 UTC |
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| CannabisDB ID | CDB005443 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethyl-2,4-dimethylimidazole |
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| Description | 1-Ethyl-2,4-dimethylimidazole, also known as SCHEMBL4334641, an alkylimidazole- an alkylated derivative of imidazole, is one of several isomeric derivatives of imidazole that contain two methyl and one ethyl substituents. It belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3. Imidazole is a white or colourless solid that is soluble in water. 1-Ethyl-2,4-dimethylimidazole is a strong basic compound. 1-Ethyl-2,4-dimethylimidazole is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C7H12N2 |
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| Average Molecular Weight | 124.19 |
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| Monoisotopic Molecular Weight | 124.1 |
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| IUPAC Name | 1-ethyl-2,4-dimethyl-1H-imidazole |
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| Traditional Name | 1-ethyl-2,4-dimethylimidazole |
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| CAS Registry Number | Not Available |
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| SMILES | CCN1C=C(C)N=C1C |
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| InChI Identifier | InChI=1S/C7H12N2/c1-4-9-5-6(2)8-7(9)3/h5H,4H2,1-3H3 |
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| InChI Key | ATPYVOLOWWSAQG-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 | 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 | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | 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 | 14972715 |
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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 | 20273992 |
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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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