Showing Compound Card for 1-Azido-3-methylbenzene (CDB006374)
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| Version | 1.0 | |||||||||||||||
| Created at | 2021-01-13 17:43:24 UTC | |||||||||||||||
| Updated at | 2021-01-13 17:43:25 UTC | |||||||||||||||
| CannabisDB ID | CDB006374 | |||||||||||||||
| Secondary Accession Numbers | Not Available | |||||||||||||||
| Cannabis Compound Identification | ||||||||||||||||
| Common Name | 1-Azido-3-methylbenzene | |||||||||||||||
| Description | 1-Azido-3-methylbenzene also known as m-tolyl azide is a methylated derivative of azidobenzene in which the methyl substituent is positioned at the C-3 position of phenylazide. 1-Azido-3-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-3-methylbenzene or m-tolyl azide is one of three structural isomers of tolyl azide where the methyl group is substituted at one of three positions (the o-, m- and p- positions) of azidobenzene. 1-Azido-3-methylbenzene is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C7H7N3 | |||||||||||||||
| Average Molecular Weight | 133.154 | |||||||||||||||
| Monoisotopic Molecular Weight | 133.063997237 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC1=CC(=CC=C1)N=[N+]=[N-] | |||||||||||||||
| InChI Identifier | InChI=1S/C7H7N3/c1-6-3-2-4-7(5-6)9-10-8/h2-5H,1H3 | |||||||||||||||
| InChI Key | WRMGCIOUNQGMSR-UHFFFAOYSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | 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. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Benzenoids | |||||||||||||||
| Class | Benzene and substituted derivatives | |||||||||||||||
| Sub Class | Phenylazides | |||||||||||||||
| Direct Parent | Phenylazides | |||||||||||||||
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| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Pathways | Not Available | |||||||||||||||
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| Enzymes | Not Available | |||||||||||||||
| Transporters | Not Available | |||||||||||||||
| Metal Bindings | Not Available | |||||||||||||||
| Receptors | Not Available | |||||||||||||||
| Transcriptional Factors | Not Available | |||||||||||||||
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| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 121760 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 138119 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
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| General References | Not Available | |||||||||||||||