| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:21:11 UTC |
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| Updated at | 2021-01-04 20:37:43 UTC |
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| CannabisDB ID | CDB005444 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethyl-4,5-dimethyl-1H-imidazole |
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| Description | 1-Ethyl-4,5-dimethylimidazole, 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 N-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. Imidazole is a white or colourless solid that is soluble in water. 1-Ethyl-4,5-dimethylimidazole is a strong basic compound. 1-Ethyl-4,5-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-4,5-dimethyl-1H-imidazole |
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| Traditional Name | 1-ethyl-4,5-dimethylimidazole |
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| CAS Registry Number | Not Available |
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| SMILES | CCN1C=NC(C)=C1C |
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| InChI Identifier | InChI=1S/C7H12N2/c1-4-9-5-8-6(2)7(9)3/h5H,4H2,1-3H3 |
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| InChI Key | MDOJDAPBPDJBKU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Azoles |
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| Sub Class | Imidazoles |
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| Direct Parent | N-substituted imidazoles |
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| Alternative Parents | |
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| Substituents | - N-substituted imidazole
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| 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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