Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:10:04 UTC |
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Update date | 2020-09-17 15:30:48 UTC |
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Primary ID | FDB012241 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 1-Propylamine |
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Description | 1-Propylamine, also known as 1-aminopropane or propylamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing a primary aliphatic amine group. 1-Propylamine is a weak base and a colorless volatile liquid with an ammoniacal taste. 1-Propylamine is found in higher concentrations in yellow bell peppers, red bell peppers, and pepper (Capsicum annuum) and in lower concentrations in orange bell peppers and green bell peppers. 1-Propylamine has also been detected in common grapes and wild celeries. This could make 1-propylamine a potential biomarker for the consumption of these foods. Propyl amine hydrochloride can be prepared by reacting 1-propanol with ammonium chloride at high temperature and pressure using a Lewis acid catalyst such as ferric chloride. |
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CAS Number | 107-10-8 |
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Structure | |
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Synonyms | Synonym | Source |
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Not Available | Not Available |
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Predicted Properties | |
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Chemical Formula | C3H9N |
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IUPAC name | propan-1-amine |
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InChI Identifier | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 |
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InChI Key | WGYKZJWCGVVSQN-UHFFFAOYSA-N |
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Isomeric SMILES | CCCN |
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Average Molecular Weight | 59.1103 |
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Monoisotopic Molecular Weight | 59.073499293 |
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Classification |
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Description | Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. |
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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 | Amines |
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Direct Parent | Monoalkylamines |
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Alternative Parents | |
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Substituents | - Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- 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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Disposition | Route of exposure: Source: Biological location: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 60.96%; H 15.35%; N 23.70% | DFC |
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Melting Point | Fp -83° | DFC |
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Boiling Point | Bp 49° | DFC |
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Experimental Water Solubility | 1000 mg/mL at 20 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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Experimental logP | 0.48 | HANSCH,C ET AL. (1995) |
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Experimental pKa | pKa 10.4 (30°) | DFC |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | d204 0.72 | DFC |
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Refractive Index | n20D 1.3910 | DFC |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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EI-MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-0efdb6162d132f562f4f | 2015-03-01 | View Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-96cb2505cd21b3a75c29 | Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-bb0aa95bee8cd8b30da7 | Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-022i-2900000000-c5bf9a3e8bb25d196316 | Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-96cb2505cd21b3a75c29 | Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-001i-9000000000-bb0aa95bee8cd8b30da7 | Spectrum | GC-MS | 1-Propylamine, non-derivatized, GC-MS Spectrum | splash10-022i-2900000000-c5bf9a3e8bb25d196316 | Spectrum | Predicted GC-MS | 1-Propylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9000000000-fd629ad7e8c23037f24b | Spectrum | Predicted GC-MS | 1-Propylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 1-Propylamine, non-derivatized, 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 | splash10-03dl-9000000000-f6c4653205d65172ca96 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-9000000000-6386256d6d1b2a6c3a54 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-a3840972d58a44efa303 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-b0527f7b8fd7f086fe41 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-46515ed43fbec1a4d9fd | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9000000000-535a73f4c967437f51aa | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-9000000000-12b588010b7079d36b5c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-9000000000-21e3530cf7626d95820c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-6440e000b91b88a69970 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-9000000000-d9608e4725a25c2900a2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9000000000-d9608e4725a25c2900a2 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-228cb230fd864e72f640 | 2021-09-22 | View Spectrum |
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NMR | Type | Description | | View |
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1D NMR | 1H NMR Spectrum (1D, 90 MHz, CDCl3, experimental) | | Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25.16 MHz, CDCl3, experimental) | | Spectrum |
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External Links |
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ChemSpider ID | 7564 |
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ChEMBL ID | CHEMBL14409 |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 7852 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 39870 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB34006 |
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CRC / DFC (Dictionary of Food Compounds) ID | HFH43-D:HFH43-D |
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EAFUS ID | 3191 |
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Dr. Duke ID | N-PROPYL-AMINE |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | 3CN |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | rw1049651 |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Flavor | Citations |
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ammoniacal |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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