| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:32:04 UTC |
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| Updated at | 2021-01-04 20:37:46 UTC |
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| CannabisDB ID | CDB005553 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1,6-Dimethyl-1H-indazole |
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| Description | 1,6-Dimethyl-1H-indazole belongs to the class of organic compounds known as indazoles. Indazoles are compounds containing an indazole moiety which is structurally characterized by a pyrazole fused to a benzene. Pyrazole is a five-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 2) and three carbon atoms. 5,7-Dimethyl-1H-indazole is a strongly basic compound. 1,6-Dimethyl-1H-indazole is a dimethylated derivative of indazole. 1,6-Dimethyl-1H-indazole is one of several structural isomers of dimethyl-1H-indazole which is substituted by two methyl groups at different positions. Dimethylindazoles are found in marijuana smoke ( Ref:DOI ). 1,6-Dimethyl-1H-indazole 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 | C9H10N2 |
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| Average Molecular Weight | 146.19 |
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| Monoisotopic Molecular Weight | 146.0844 |
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| IUPAC Name | 1,6-dimethyl-1H-indazole |
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| Traditional Name | 1,6-dimethylindazole |
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| CAS Registry Number | Not Available |
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| SMILES | CN1N=CC2=C1C=C(C)C=C2 |
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| InChI Identifier | InChI=1S/C9H10N2/c1-7-3-4-8-6-10-11(2)9(8)5-7/h3-6H,1-2H3 |
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| InChI Key | KGRHFKRJDVCGMB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as indazoles. Indazoles are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzopyrazoles |
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| Sub Class | Indazoles |
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| Direct Parent | Indazoles |
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| Alternative Parents | |
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| Substituents | - Indazole
- Benzopyrazole
- Benzenoid
- Heteroaromatic compound
- Pyrazole
- Azole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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