| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:30:46 UTC |
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| Updated at | 2021-01-22 17:44:17 UTC |
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| CannabisDB ID | CDB005540 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethylisoquinoline |
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| Description | 1-Ethylisoquinoline is an ethylated derivative of isoquinoline in posicion 1. Isoquinoline, also known as 2-benzazine or benzo[c]pyridine, 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 forming benzo[c]pyridine. Isoquinoline is also classified as a benzopyridine. It is a structural isomer of quinoline. Isoquinoline exists a colorless hygroscopic liquid at temperatures above its melting point (around 25 oC) with a penetrating, unpleasant odor. More specifically isoquinoline has a sweet, balsam, bitter almond or anise aroma. Impure samples of isoquinoline can appear brownish, as is typical for nitrogen heterocycles. Isoquinoline crystallizes in platelets that have a low solubility in water but dissolve well in ethanol, acetone, diethyl ether, carbon disulfide, and other common organic solvents. Isoquinoline was first isolated from coal tar in 1885. Isoquinoline is a weakly basic compound and it protonates easily to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3. Industrially, isoquinolines are used in the manufacture of dyes, paints, insecticides and antifungals. Isoquinoline is also used as a solvent for the extraction of resins and terpenes, and as a corrosion inhibitor. Isoquinoline also occurs naturally in a number of foods including milk and bonito fish. The Isoquinoline structure occurs in a considerable number of alkaloids in widely separated plant families. They represent the largest single group of plant alkaloids, and there is great variation in their chemical structures. Some of the important isoquinoline subgroups are the benzyl isoquinolines represented by papaverine and tubocurarine, the benzophenanthridines represented by sanguinarine, the pthalideisoquinolines that contain a gamma-lactone ring and are represented by hydrastine, the morphinans represented by the opium alkaloids (codeine, morphine, thebaine), the protoberberines represented by berberine, and those with the mertine skeleton. Isoquinoline 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 | C11H11N |
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| Average Molecular Weight | 157.22 |
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| Monoisotopic Molecular Weight | 157.0891 |
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| IUPAC Name | 1-ethylisoquinoline |
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| Traditional Name | 1-ethylisoquinoline |
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| CAS Registry Number | 7661-60-1 |
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| SMILES | CCC1=NC=CC2=CC=CC=C12 |
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| InChI Identifier | InChI=1S/C11H11N/c1-2-11-10-6-4-3-5-9(10)7-8-12-11/h3-8H,2H2,1H3 |
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| InChI Key | UBDYMAZEEMMDCG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | 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. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Isoquinolines and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Isoquinolines and derivatives |
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| Alternative Parents | |
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| Substituents | - Isoquinoline
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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