| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:39:04 UTC |
|---|
| Updated at | 2021-01-04 20:37:47 UTC |
|---|
| CannabisDB ID | CDB005622 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 3-hexyl-1,7-diazanaphthalene |
|---|
| 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 Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings.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. |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C14H18N2 |
|---|
| Average Molecular Weight | 214.31 |
|---|
| Monoisotopic Molecular Weight | 214.147 |
|---|
| IUPAC Name | 3-hexyl-1,7-naphthyridine |
|---|
| Traditional Name | 3-hexyl-1,7-naphthyridine |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CCCCCCC1=CN=C2C=NC=CC2=C1 |
|---|
| 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 |
|---|
| InChI Key | UBISEYYVTIAHMV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
| Spectra |
|---|
| EI-MS/GC-MS | Not Available |
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
|
|---|
| NMR | Not Available |
|---|
| Pathways |
|---|
| Pathways | Not Available |
|---|
| Protein Targets |
|---|
| Enzymes | Not Available |
|---|
| Transporters | Not Available |
|---|
| Metal Bindings | Not Available |
|---|
| Receptors | Not Available |
|---|
| Transcriptional Factors | Not Available |
|---|
| Concentrations Data |
|---|
| Not Available |
|---|
| External Links |
|---|
| HMDB ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FoodDB ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| Chemspider ID | Not Available |
|---|
| KEGG Compound ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PubChem Compound | Not Available |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| References |
|---|
| General References | Not Available |
|---|
