| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:46:33 UTC |
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| Updated at | 2021-01-04 18:49:09 UTC |
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| CannabisDB ID | CDB005696 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Tolyl azide |
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| Description | 1-Azido-4-methylbenzene also known as p-tolyl azide is a methylated derivative of azidobenzene in which the methyl substituent is positioned at C-4 of phenylazide. 1-Azido-4-methylbenzene belongs to the class of organic compounds known as phenylazides. Phenylazides are compounds containing a phenylazide moiety, which consists of a linear azide substituent attached to a phenyl group. 1-Azido-4-methylbenzene is possibly neutral. 1-Azido-4-methylbenzene or p-Tolyl azide is one of three structural isomers of Tolyl azide wherein the methyl group is substituted at three positions (the o-, m- and p- positions) of azidobenzene. Tolyl azides are found in cannabis smoke. 1-Azido-4-methylbenzene 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 | C7H7N3 |
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| Average Molecular Weight | 133.15 |
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| Monoisotopic Molecular Weight | 133.064 |
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| IUPAC Name | 1-azido-4-methylbenzene |
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| Traditional Name | 1-azido-4-methylbenzene |
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| CAS Registry Number | 2101-86-2 |
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| SMILES | CC1=CC=C(C=C1)N=[N+]=[N-] |
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| InChI Identifier | InChI=1S/C7H7N3/c1-6-2-4-7(5-3-6)9-10-8/h2-5H,1H3 |
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| InChI Key | YVXDRCDGBCOJHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| 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 |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 121097 |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 137430 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | Not Available |
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