| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:17:29 UTC |
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| Updated at | 2021-01-06 19:07:00 UTC |
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| CannabisDB ID | CDB005985 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2,7-Dimethylquinoline |
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| Description | 2,7-Dimethylquinoline belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 2,7-Dimethylquinoline is a very strong basic compound (based on its pKa). 2,7-Dimethylquinoline is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 27-Dimethylquinoline | ChEMBL | | 27-Dimethyl-quinoline | ChEMBL |
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| Chemical Formula | C11H11N |
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| Average Molecular Weight | 157.22 |
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| Monoisotopic Molecular Weight | 157.0891 |
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| IUPAC Name | 2,7-dimethylquinoline |
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| Traditional Name | quinoline, 2,7-dimethyl- |
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| CAS Registry Number | 93-37-8 |
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| SMILES | CC1=CC2=NC(C)=CC=C2C=C1 |
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| InChI Identifier | InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3 |
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| InChI Key | QXKPLNCZSFACPU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Quinolines and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Quinolines and derivatives |
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| Alternative Parents | |
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| Substituents | - Quinoline
- Methylpyridine
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen 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 | | 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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