| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:58:32 UTC |
|---|
| Updated at | 2021-01-04 18:49:22 UTC |
|---|
| CannabisDB ID | CDB005807 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 2,3-dimethyl-1H-Indole |
|---|
| Description | 2,3-Dimethylindole also known as 2,3-dimethyl-1H-Indole is a dimethylated derivative of indole in which two methyl substituents positioning on C-2 and C-3 of indole. 2,3-Dimethylindole belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group. 2,3-Dimethylindole is one of several structural isomers of dimethylindole wherein two methyl groups are substituted at different positions of indole. It exists as white to yellow powder. As a cyclic indole 2,3-Dimethylindole is used in creation of agonists and Bis(indolyl)methane derivatives, and in general Diels-Alder and electron transfer reactions. It is used to study properties of other indoles, and possesses chemiluminescence properties when reacted with peroxides. Dimethylindoles are found in cannabis smoke. 2,3-Dimethylindole is formed during the combustion of cannabis ( Ref:DOI ). |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C10H11N |
|---|
| Average Molecular Weight | 145.21 |
|---|
| Monoisotopic Molecular Weight | 145.0891 |
|---|
| IUPAC Name | 2,3-dimethyl-1H-indole |
|---|
| Traditional Name | 1H-indole, 2,3-dimethyl- |
|---|
| CAS Registry Number | 91-55-4 |
|---|
| SMILES | CC1=C(C)C2=CC=CC=C2N1 |
|---|
| InChI Identifier | InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3 |
|---|
| InChI Key | PYFVEIDRTLBMHG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Classification | Not classified |
|---|
| 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 | [] |
|---|
| Spectra |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | 2,3-dimethyl-1H-Indole, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
|---|
| MS/MS | Not Available |
|---|
| NMR | Not Available |
|---|
| Pathways |
|---|
| Pathways | Not Available |
|---|
| Protein Targets |
|---|
| Enzymes | Not Available |
|---|
| Transporters | Not Available |
|---|
| Metal Bindings | Not Available |
|---|
| Receptors | Not Available |
|---|
| Transcriptional Factors | Not Available |
|---|
| Concentrations Data |
|---|
| Not Available |
|---|
| External Links |
|---|
| HMDB ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FoodDB ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| Chemspider ID | 6786 |
|---|
| KEGG Compound ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PubChem Compound | 7053 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| References |
|---|
| General References | Not Available |
|---|
