| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:41:07 UTC |
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| Updated at | 2020-11-18 16:35:13 UTC |
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| CannabisDB ID | CDB000513 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 2-Methylaziridine |
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| Description | 2-MethylAziridine, also known as propyleneimine, belongs to the class of organic compounds known as aziridines. It is a secondary amine and the smallest chiral aziridine (ring containing C2N). These are organic compounds containing a saturated three-member heterocycle with one amino group and two methylene groups. The chemical formula of 2-methylaziridine is CH3CH(NH)CH2. 2-Methylaziridine is a very strong basic compound (based on its pKa) and it is a flammable colorless liquid. It is used in the paper, textile, rubber and pharmaceutical industries and its derivatives, copolymers and oligomers, are of commercial interest. The compound is also of interest for the synthesis of dendrimers, a process that exploits the tendency of aziridines to undergo ring-opening reactions. 2-Methylaziridine is also used in making paint. NIOSH considers 2-methylaziridine a potential occupational carcinogen. 2-Methylaziridine has also been found in the volatile fraction of Cannabis sativa samples obtained from police seizures (PMID: 26657499 ) and is likely a smoke component of marijuana ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C3H7N |
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| Average Molecular Weight | 57.1 |
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| Monoisotopic Molecular Weight | 57.0578 |
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| IUPAC Name | (2S)-2-methylaziridine |
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| Traditional Name | (2S)-2-methylaziridine |
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| CAS Registry Number | 41927-28-0 |
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| SMILES | C[C@H]1CN1 |
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| InChI Identifier | InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3/t3-/m0/s1 |
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| InChI Key | OZDGMOYKSFPLSE-VKHMYHEASA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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| Role | Indirect biological role: |
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| Physical Properties |
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| State | Solid |
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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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| Spectra |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 2-Methylaziridine, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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| NMR | Not Available |
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| Pathways |
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| Pathways | Not Available |
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| Protein Targets |
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| Enzymes | Not Available |
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| Transporters | Not Available |
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| Metal Bindings | Not Available |
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| Receptors | Not Available |
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| Transcriptional Factors | Not Available |
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| Concentrations Data |
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| Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | Not Available |
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| KEGG Compound ID | Not Available |
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| BioCyc ID | Not Available |
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| BiGG ID | Not Available |
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| Wikipedia Link | Not Available |
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| METLIN ID | Not Available |
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| PubChem Compound | 186632 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | - Rice S, Koziel JA: Characterizing the Smell of Marijuana by Odor Impact of Volatile Compounds: An Application of Simultaneous Chemical and Sensory Analysis. PLoS One. 2015 Dec 10;10(12):e0144160. doi: 10.1371/journal.pone.0144160. eCollection 2015. [PubMed:26657499 ]
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