| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:18:48 UTC |
|---|
| Updated at | 2021-01-22 17:44:17 UTC |
|---|
| CannabisDB ID | CDB005420 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 3-Vinyl pyridine |
|---|
| Description | 3-Vinylpyridine is an organic compound with the formula CH2CHC5H4N. It belongs to the class of compounds known as pyridines and derivatives. Pyridines and derivatives are compounds containing a pyridine ring, which is a six-membered aromatic heterocycle that consists of five carbon atoms and one nitrogen atom. 3-Vinylpyridine is a derivative of pyridine with a vinyl group in the 3-position of the aromatic ring. 3-Vinylpyridine is miscible in water and a very strong basic compound. It is a colorless liquid although samples are often brown. It is used industrially as a precursor to specialty polymers and as an intermediate in the chemical, pharmaceutical, dye, and photo industries. 3-Vinylpyridine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke (Ref: Ref:DOI ). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 3-Ethenylpyridine | MeSH |
|
|---|
| Chemical Formula | C7H7N |
|---|
| Average Molecular Weight | 105.14 |
|---|
| Monoisotopic Molecular Weight | 105.0578 |
|---|
| IUPAC Name | 3-ethenylpyridine |
|---|
| Traditional Name | pyridine, 3-ethenyl- |
|---|
| CAS Registry Number | 1121-55-7 |
|---|
| SMILES | C=CC1=CN=CC=C1 |
|---|
| InChI Identifier | InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2 |
|---|
| InChI Key | DPZYLEIWHTWHCU-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 | 13634 |
|---|
| KEGG Compound ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Vinylpyridine |
|---|
| METLIN ID | Not Available |
|---|
| PubChem Compound | 14272 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| References |
|---|
| General References | Not Available |
|---|
