| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:30:52 UTC |
|---|
| Updated at | 2021-01-04 20:37:45 UTC |
|---|
| CannabisDB ID | CDB005541 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 1,3-Dimethylisoquinoline |
|---|
| Description | 1,3-Dimethylisoquinoline 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. 1,3-Dimethylisoquinoline is a dimethylated derivative of isoquinoline and one of several structural isomers of dimethylisoquinoline which is substituted by two methyl groups at different positions. Ethylisoquinolines are found in marijuana smoke. 1,3-Dimethylisoquinoline is formed during the combustion of cannabis ( Ref:DOI ). |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C11H11N |
|---|
| Average Molecular Weight | 157.22 |
|---|
| Monoisotopic Molecular Weight | 157.0891 |
|---|
| IUPAC Name | 1,3-dimethylisoquinoline |
|---|
| Traditional Name | 1,3-dimethylisoquinoline |
|---|
| CAS Registry Number | 1721-94-4 |
|---|
| SMILES | CC1=CC2=CC=CC=C2C(C)=N1 |
|---|
| InChI Identifier | InChI=1S/C11H11N/c1-8-7-10-5-3-4-6-11(10)9(2)12-8/h3-7H,1-2H3 |
|---|
| InChI Key | SNQSGKQEGKHJCZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Isoquinolines and derivatives |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Isoquinolines and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Isoquinoline
- Methylpyridine
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
|
| Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
