| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:51:18 UTC |
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| Updated at | 2021-01-04 18:49:13 UTC |
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| CannabisDB ID | CDB005743 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Allyl amide |
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| Description | Allyl amide or monoallylamide is an allyl derivative of amide or a dehydrogenated form of Allyl amine. It belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom. Allyl amide or monoallylamide is an organic compound with the structural formula H2C=CH−CH2NH-, It consists of a methylene bridge (−CH2−) attached to a vinyl group (−CH=CH2) and amide (NH-). Allyl amide is a strongly basic compound (based on its pKa). The parent compound of Allyl amide (Allylamine) is a colorless liquid and is the simplest stable unsaturated amine. Allyl amide is a lachrymator and skin irritant. Allyl amide is a constituent of cannabis smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C3H6N |
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| Average Molecular Weight | 56.09 |
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| Monoisotopic Molecular Weight | 56.0506 |
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| IUPAC Name | prop-2-en-1-aminide |
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| Traditional Name | prop-2-en-1-aminide |
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| CAS Registry Number | Not Available |
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| SMILES | [NH-]CC=C |
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| InChI Identifier | InChI=1S/C3H6N/c1-2-3-4/h2,4H,1,3H2/q-1 |
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| InChI Key | ZXOWRKYUHLIENZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Not Available |
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| Direct Parent | Organonitrogen compounds |
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| Alternative Parents | |
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| Substituents | - Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic 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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| Spectra |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| 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 | 24778846 |
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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 | 53627781 |
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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 | Not Available |
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