| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-04-27 16:31:17 UTC |
|---|
| Updated at | 2021-01-04 20:37:46 UTC |
|---|
| CannabisDB ID | CDB005545 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 1-Methylphthalazine |
|---|
| Description | 1-Methylphthalazine also known as 1-Methyl-2,3-benzodiazine, belongs to the class of organic compounds known as phthalazines. phthalazines are aromatic heterocyclic compounds containing a phthalazine moiety which consists of a benzene ring fused to a pyridazine forming a 2,3-benzodiazine skeleton. Pyridazine is a six-membered ring with two adjacent nitrogen atoms. 1-Methylphthalazine is also classified as a methylated derivative of Phthalazine. 1-Methylphthalazine is one of several structural isomers of methylphthalazine which is substituted by a methyl group at different positions. Methylphthalazines are found in marijuana smoke. 1-Methylphthalazine is formed during the combustion of cannabis ( Ref:DOI ). |
|---|
| Structure | |
|---|
| Synonyms | Not Available |
|---|
| Chemical Formula | C9H8N2 |
|---|
| Average Molecular Weight | 144.18 |
|---|
| Monoisotopic Molecular Weight | 144.0687 |
|---|
| IUPAC Name | 1-methylphthalazine |
|---|
| Traditional Name | 1-methylphthalazine |
|---|
| CAS Registry Number | 5004-46-6 |
|---|
| SMILES | CC1=NN=CC2=CC=CC=C12 |
|---|
| InChI Identifier | InChI=1S/C9H8N2/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-6H,1H3 |
|---|
| InChI Key | VXDPPGNAYZJZPM-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 | [] |
|---|
