| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:31:43 UTC |
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| Updated at | 2021-01-06 19:07:03 UTC |
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| CannabisDB ID | CDB006119 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3-Butylisoquinoline |
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| Description | 3-Butylisoquinoline belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. 3-Butylisoquinoline is a very strong basic compound (based on its pKa). 3-Butylisoquinoline 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 | C13H15N |
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| Average Molecular Weight | 185.27 |
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| Monoisotopic Molecular Weight | 185.1204 |
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| IUPAC Name | 3-butylisoquinoline |
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| Traditional Name | 3-butylisoquinoline |
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| CAS Registry Number | 7661-42-9 |
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| SMILES | CCCCC1=CC2=CC=CC=C2C=N1 |
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| InChI Identifier | InChI=1S/C13H15N/c1-2-3-8-13-9-11-6-4-5-7-12(11)10-14-13/h4-7,9-10H,2-3,8H2,1H3 |
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| InChI Key | OKQPDIASPWSCFS-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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