| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:23:00 UTC |
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| Updated at | 2021-01-04 20:37:44 UTC |
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| CannabisDB ID | CDB005462 |
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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-vinyl-azaindan |
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| Description | 1-Ethyl-2-vinyl-azaindan belongs to the class of organic compounds known as azaindans and derivatives. These are compounds containing an azaindan moiety which consists of a benzene ring fused to a pyrrolidine. Pyrrolidine is a five-member heterocycle which consists of four carbon atoms and one nitrogen atom. 1-Ethyl-2-vinyl-azaindan is one of several alkylazaindan isomers with one ethyl and one vinyl group attached at different positions around the azaindan moiety. It is a moderately basic compound (based on its pKa). 1-Ethyl-2-vinyl-azaindan 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 | C12H15N |
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| Average Molecular Weight | 173.26 |
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| Monoisotopic Molecular Weight | 173.1204 |
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| IUPAC Name | 2-ethenyl-1-ethyl-2,3-dihydro-1H-indole |
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| Traditional Name | 2-ethenyl-1-ethyl-2,3-dihydroindole |
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| CAS Registry Number | Not Available |
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| SMILES | CCN1C(CC2=CC=CC=C12)C=C |
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| InChI Identifier | InChI=1S/C12H15N/c1-3-11-9-10-7-5-6-8-12(10)13(11)4-2/h3,5-8,11H,1,4,9H2,2H3 |
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| InChI Key | WKSZMXAOHPGYCF-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 |
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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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