| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:42:52 UTC |
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| Updated at | 2021-01-04 18:49:05 UTC |
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| CannabisDB ID | CDB005659 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Propionamide |
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| Description | Propionamide, also known as propionic amide, propanamide or n-propylamide, belongs to the class of organic compounds known as primary carboxylic acid amides. Primary carboxylic acid amides are compounds comprised of a primary carboxylic acid amide functional group, with the general structure RC(=O)NH2. Propionamide is an amide of propionic acid. It is also considered to be a monocarboxylic acid amide that can be obtained by the condensation of urea and propanoic acid or by the dehydration of ammonium propionate. Propionamide 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 | | Value | Source |
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| N-Propionic amide | ChEBI | | Propanamide | ChEBI | | Propanimidic acid | ChEBI | | Propionic acid amide | ChEBI | | Propionic amide | ChEBI | | Propionimidic acid | ChEBI | | Propylamide | ChEBI | | Propanimidate | Generator | | Propionate amide | Generator | | Propionimidate | Generator |
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| Chemical Formula | C3H7NO |
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| Average Molecular Weight | 73.09 |
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| Monoisotopic Molecular Weight | 73.0528 |
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| IUPAC Name | propanamide |
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| Traditional Name | propionamide |
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| CAS Registry Number | 79-05-0 |
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| SMILES | CCC(O)=N |
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| InChI Identifier | InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5) |
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| InChI Key | QLNJFJADRCOGBJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as primary carboxylic acid amides. Primary carboxylic acid amides are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Carboxylic acid derivatives |
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| Direct Parent | Primary carboxylic acid amides |
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| Alternative Parents | |
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| Substituents | - Primary carboxylic acid amide
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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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 | 80 °C | Wikipedia | | Boiling Point | 213 °C | Wikipedia | | 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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| GC-MS | Propionamide, non-derivatized, GC-MS Spectrum | splash10-0006-0000920400-d0f51316d5340927c4bf | Spectrum | | Predicted GC-MS | Propionamide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-002f-9000000000-27599b6fe4aa761e64bc | 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 | splash10-05fr-9000000000-f242cfc49473f00ddd8c | 2017-07-26 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4i-9000000000-f0fefcf36e2d22eeeee9 | 2017-07-26 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9000000000-7105d19d1c1b9356a38a | 2017-07-26 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-9000000000-f0d48b0d43665b4f33ef | 2017-07-26 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00di-9000000000-16903e8857089ae1d1e7 | 2017-07-26 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-27f935c832cbd823c545 | 2017-07-26 | 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 | HMDB0062149 |
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| DrugBank ID | DB04161 |
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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 | PROPIONAMIDE |
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| BiGG ID | Not Available |
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| Wikipedia Link | Propionamide |
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| METLIN ID | Not Available |
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| PubChem Compound | 6578 |
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| PDB ID | Not Available |
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| ChEBI ID | 45422 |
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| References |
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| General References | Not Available |
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