| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:41:13 UTC |
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| Updated at | 2021-01-04 18:49:01 UTC |
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| CannabisDB ID | CDB005643 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-butyl-6-azaindole |
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| Description | 1-Butyl-6-azaindole or 1-Butyl-1H-pyrrolo[2,3-c]pyridine, belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is a 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. Pyrrolopyridines are colorless and almost odorless compounds. 1-Butyl-6-azaindole is also classified as an alkyl-6-azaindole. 1-Butyl-6-azaindole is one of several structural isomers of butyl-6-azaindole which is substituted by one butyl group at different positions of the pyridine and pyrrole rings. Butyl-6-Azaindoles are found in marijuana smoke. 1-Butyl-6-Azaindole is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C11H14N2 |
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| Average Molecular Weight | 174.25 |
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| Monoisotopic Molecular Weight | 174.1157 |
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| IUPAC Name | 1-butyl-1H-pyrrolo[2,3-c]pyridine |
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| Traditional Name | 1-butylpyrrolo[2,3-c]pyridine |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCN1C=CC2=C1C=NC=C2 |
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| InChI Identifier | InChI=1S/C11H14N2/c1-2-3-7-13-8-5-10-4-6-12-9-11(10)13/h4-6,8-9H,2-3,7H2,1H3 |
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| InChI Key | VFVGVBZSLHTLNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrrolopyridines. Pyrrolopyridines are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyrrolopyridines |
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| Sub Class | Not Available |
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| Direct Parent | Pyrrolopyridines |
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| Alternative Parents | |
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| Substituents | - Pyrrolopyridine
- Substituted pyrrole
- Pyridine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen 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 |
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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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