| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:33:09 UTC |
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| Updated at | 2021-01-04 20:37:46 UTC |
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| CannabisDB ID | CDB005564 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 4,5-Dimethylpyridine-2,3-diamine |
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| Description | 4,5-Dimethylpyridine-2,3-diamine or 2,3-diamino-4,5-dimethylpyridine, belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic compounds containing an amino group attached to a pyridine ring. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen atom. 4,5-Dimethylpyridine-2,3-diamine is a weakly basic compound. 4,5-Dimethylpyridine-2,3-diamine is found in marijuana smoke ( Ref:DOI ). 4,5-Dimethylpyridine-2,3-diamine is formed during the combustion of cannabis. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C7H11N3 |
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| Average Molecular Weight | 137.19 |
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| Monoisotopic Molecular Weight | 137.0953 |
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| IUPAC Name | 2-imino-4,5-dimethyl-1,2-dihydropyridin-3-amine |
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| Traditional Name | 2-imino-4,5-dimethyl-1H-pyridin-3-amine |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CNC(=N)C(N)=C1C |
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| InChI Identifier | InChI=1S/C7H11N3/c1-4-3-10-7(9)6(8)5(4)2/h3H,8H2,1-2H3,(H2,9,10) |
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| InChI Key | SVGRLEGUHJDSOO-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 | 45623618 |
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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 | 68543619 |
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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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