| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:44:27 UTC |
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| Updated at | 2021-01-04 18:49:08 UTC |
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| CannabisDB ID | CDB005675 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Dimethyltetrazine |
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| Description | 5,6-Dimethyltetrazine belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and two carbon atoms. 5,6-Dimethyltetrazine is also classified as an alkyltetrazine as it is a dimethylated derivative of tetrazine in which two methyl substituents are positioned at C-5 and C-6. 5,6-Dimethyltetrazine is one of several structural isomers of dimethyltetrazine wherein two methyl groups are substituted at different positions of the tetrazine ring. Dimethyltetrazines are found in cannabis smoke. 5,6-Dimethyltetrazine 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 | C4H6N4 |
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| Average Molecular Weight | 110.12 |
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| Monoisotopic Molecular Weight | 110.0592 |
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| IUPAC Name | dimethyl-1,2,3,4-tetrazine |
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| Traditional Name | dimethyl-1,2,3,4-tetrazine |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=C(C)N=NN=N1 |
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| InChI Identifier | InChI=1S/C4H6N4/c1-3-4(2)6-8-7-5-3/h1-2H3 |
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| InChI Key | QKAQHZQRXSCMRY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Tetrazines |
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| Sub Class | Not Available |
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| Direct Parent | Tetrazines |
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| Alternative Parents | |
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| Substituents | - Tetrazine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| 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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