Record Information |
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Version | 5.0 |
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Status | Detected and Quantified |
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Creation Date | 2009-11-30 15:51:23 UTC |
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Update Date | 2023-02-21 17:17:57 UTC |
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HMDB ID | HMDB0013231 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Ethylamine |
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Description | Ethylamine, also known as 1-aminoethane or ethanamine, belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group. Ethylamine exists in all living organisms, ranging from bacteria to humans. Ethylamine is an ammonia and fishy tasting compound. Ethylamine can be found found in a few different foods, such as barley, apples, and corns and in a lower concentration in white cabbages, wild carrots, and cabbages. Ethylamine has also been detected, but not quantified, in several different foods, such as black elderberries, common grapes, french plantains, soy beans, and spinachs. Ethylamine is a uremic toxin. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. Ethylamine is component of normal human urine it has been suggested that this short aliphatic chain may play a significant role in the central nervous system disturbances observe during hepatic and renal disease especially when the blood brain barrier is compromised. |
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Structure | InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3 |
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Synonyms | Value | Source |
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1-Aminoethane | ChEBI | Aminoethane | ChEBI | ETHANAMINE | ChEBI | Aethylamine | HMDB | Ethyl amine | HMDB | Ethylamine solution | HMDB | Etilamina | HMDB | Etyloamina | HMDB | Monoethylamine | HMDB | Ethylamine hydrochloride | MeSH | Ethylamine hydrobromide | MeSH | Ethylamine, 14C-labeled | MeSH |
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Chemical Formula | C2H7N |
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Average Molecular Weight | 45.0837 |
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Monoisotopic Molecular Weight | 45.057849229 |
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IUPAC Name | ethanamine |
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Traditional Name | ethylamine |
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CAS Registry Number | 75-04-7 |
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SMILES | CCN |
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InChI Identifier | InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3 |
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InChI Key | QUSNBJAOOMFDIB-UHFFFAOYSA-N |
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Chemical Taxonomy |
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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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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Liquid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
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Ethylamine | CCN | 704.9 | Standard polar | 33892256 | Ethylamine | CCN | 374.0 | Standard non polar | 33892256 | Ethylamine | CCN | 408.1 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Ethylamine,1TMS,isomer #1 | CCN[Si](C)(C)C | 685.5 | Semi standard non polar | 33892256 | Ethylamine,1TMS,isomer #1 | CCN[Si](C)(C)C | 725.9 | Standard non polar | 33892256 | Ethylamine,1TMS,isomer #1 | CCN[Si](C)(C)C | 776.4 | Standard polar | 33892256 | Ethylamine,2TMS,isomer #1 | CCN([Si](C)(C)C)[Si](C)(C)C | 964.0 | Semi standard non polar | 33892256 | Ethylamine,2TMS,isomer #1 | CCN([Si](C)(C)C)[Si](C)(C)C | 970.6 | Standard non polar | 33892256 | Ethylamine,2TMS,isomer #1 | CCN([Si](C)(C)C)[Si](C)(C)C | 910.8 | Standard polar | 33892256 | Ethylamine,1TBDMS,isomer #1 | CCN[Si](C)(C)C(C)(C)C | 946.7 | Semi standard non polar | 33892256 | Ethylamine,1TBDMS,isomer #1 | CCN[Si](C)(C)C(C)(C)C | 914.8 | Standard non polar | 33892256 | Ethylamine,1TBDMS,isomer #1 | CCN[Si](C)(C)C(C)(C)C | 973.7 | Standard polar | 33892256 | Ethylamine,2TBDMS,isomer #1 | CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1353.7 | Semi standard non polar | 33892256 | Ethylamine,2TBDMS,isomer #1 | CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1367.9 | Standard non polar | 33892256 | Ethylamine,2TBDMS,isomer #1 | CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1183.7 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Ethylamine GC-MS (Non-derivatized) - 70eV, Positive | splash10-001j-9000000000-6aa6ace25db55efb49cc | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethylamine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-e422139902e26a3df1fe | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethylamine LC-ESI-QQ , positive-QTOF | splash10-0002-9000000000-033f05ec7cce649f8009 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethylamine LC-ESI-QQ , positive-QTOF | splash10-0002-9000000000-2639db170e818688d7ab | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethylamine LC-ESI-QQ , positive-QTOF | splash10-03di-9200000000-0a455838aa5b351373a0 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethylamine LC-ESI-QQ , positive-QTOF | splash10-03fr-9100000000-bee30c9a05e01b4aad87 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethylamine LC-ESI-QQ , positive-QTOF | splash10-02di-9100000000-bd259a9e5886b3b57cab | 2017-09-14 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 10V, Positive-QTOF | splash10-0002-9000000000-274e873dba0d4ad103b7 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 20V, Positive-QTOF | splash10-0002-9000000000-6e85adff9c6b1415c0c5 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 40V, Positive-QTOF | splash10-004i-9000000000-a836286cd9de57a2ad46 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 10V, Negative-QTOF | splash10-0006-9000000000-6ace2b096232f6eaf08e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 20V, Negative-QTOF | splash10-0006-9000000000-98a7d493e57f6a7cec1f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 40V, Negative-QTOF | splash10-0006-9000000000-52fc39e2fe2d45ff7588 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 10V, Positive-QTOF | splash10-0002-9000000000-e97e92727205304cdb09 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 20V, Positive-QTOF | splash10-0002-9000000000-e97e92727205304cdb09 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 40V, Positive-QTOF | splash10-0006-9000000000-ffdcb547a0eba6bb26fd | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 10V, Negative-QTOF | splash10-0006-9000000000-46fb6b0f3d2dcd71d159 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 20V, Negative-QTOF | splash10-0006-9000000000-46fb6b0f3d2dcd71d159 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethylamine 40V, Negative-QTOF | splash10-0006-9000000000-46fb6b0f3d2dcd71d159 | 2021-09-25 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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