| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:39:04 UTC |
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| Updated at | 2021-01-04 20:37:47 UTC |
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| CannabisDB ID | CDB005622 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3-hexyl-1,7-diazanaphthalene |
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| Description | 3-Hexyl-1,7-diazanaphthalene, also known as 3-hexyl-1,7-naphthyridine, belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton is an assembly two fused pyridine rings, with unshared nitrogens at positions 1 and 8. 3-Hexyl-1,7-diazanaphthalene is a strongly basic compound. 3-Hexyl-1,7-diazanaphthalene is one of several structural isomers of hexyl-1,7-diazanaphthalene which is substituted by one hexyl group at different positions. 3-Hexyl-1,7-diazanaphthalene is also classified as an alkylnaphthyridine. 3-Hexyl-1,7-diazanaphthalene is found in marijuana smoke ( Ref:DOI ). 3-Hexyl-1,7-diazanaphthalene 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 | C14H18N2 |
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| Average Molecular Weight | 214.31 |
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| Monoisotopic Molecular Weight | 214.147 |
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| IUPAC Name | 3-hexyl-1,7-naphthyridine |
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| Traditional Name | 3-hexyl-1,7-naphthyridine |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCC1=CN=C2C=NC=CC2=C1 |
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| InChI Identifier | InChI=1S/C14H18N2/c1-2-3-4-5-6-12-9-13-7-8-15-11-14(13)16-10-12/h7-11H,2-6H2,1H3 |
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| InChI Key | UBISEYYVTIAHMV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Diazanaphthalenes |
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| Sub Class | Naphthyridines |
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| Direct Parent | Naphthyridines |
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| Alternative Parents | |
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| Substituents | - Naphthyridine
- 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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