| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:40:24 UTC |
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| Updated at | 2021-01-04 18:49:01 UTC |
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| CannabisDB ID | CDB005635 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Ethylimidazole |
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| Description | N-Ethylimidazole or 1-Ethylimidazole is an ethylated derivative of imidazole. 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 five-member aromatic heterocycle which consists of two nitrogen atoms and three carbon atoms. 1-Ethylimidazole is also classified as an alkylimidazole. 1-Ethylimidazole is one of several structural isomers of ethylimidazole wherein the ethyl group is substituted at different positions (the 1, 2 and 3 positions) of the imidazole ring. It exists as a light-yellow transparent liquid. Ethylimidazoles are found in marijuana smoke ( Ref:DOI ). 1-Ethylimidazole 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 | C5H8N2 |
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| Average Molecular Weight | 96.13 |
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| Monoisotopic Molecular Weight | 96.0687 |
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| IUPAC Name | 1-ethyl-1H-imidazole |
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| Traditional Name | 1H-imidazole, 1-ethyl- |
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| CAS Registry Number | 7098-07-9 |
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| SMILES | CCN1C=CN=C1 |
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| InChI Identifier | InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3 |
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| InChI Key | IWDFHWZHHOSSGR-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
- Organopnictogen 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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