| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:36:50 UTC |
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| Updated at | 2021-01-04 20:37:46 UTC |
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| CannabisDB ID | CDB005600 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3,4,6-Trimethylisoquinoline |
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| Description | 3,4,6-Trimethylisoquinoline belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. 3,4,6-Trimethylisoquinoline is a weakly basic compound. 3,4,6-Trimethylisoquinoline is a trimethylated derivative of isoquinoline. 3,4,6-Trimethylisoquinoline is also classified as an alkylisoquinoline. 3,4,6-Trimethylisoquinoline is found in marijuana smoke ( Ref:DOI ). Trimethylisoquinoline 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 | C12H13N |
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| Average Molecular Weight | 171.24 |
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| Monoisotopic Molecular Weight | 171.1048 |
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| IUPAC Name | 3,4,6-trimethylisoquinoline |
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| Traditional Name | 3,4,6-trimethylisoquinoline |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=CC2=C(C)C(C)=NC=C2C=C1 |
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| InChI Identifier | InChI=1S/C12H13N/c1-8-4-5-11-7-13-10(3)9(2)12(11)6-8/h4-7H,1-3H3 |
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| InChI Key | ASPQBBKLLPNWHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Isoquinolines and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Isoquinolines and derivatives |
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| Alternative Parents | |
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| Substituents | - Isoquinoline
- 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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