Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:07 UTC |
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Update date | 2020-02-24 19:10:59 UTC |
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Primary ID | FDB010411 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Triethylamine |
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Description | Triethylamine, also known as (C2H5)3N or NET3, belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. Triethylamine is an ammoniacal and fishy tasting compound. Triethylamine is found, on average, in the highest concentration within grape wine. This could make triethylamine a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Triethylamine. |
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CAS Number | 121-44-8 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C6H15N |
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IUPAC name | triethylamine |
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InChI Identifier | InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 |
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InChI Key | ZMANZCXQSJIPKH-UHFFFAOYSA-N |
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Isomeric SMILES | CCN(CC)CC |
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Average Molecular Weight | 101.19 |
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Monoisotopic Molecular Weight | 101.120449485 |
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Classification |
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Description | Belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. |
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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 | Trialkylamines |
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Alternative Parents | |
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Substituents | - Tertiary aliphatic amine
- Organopnictogen compound
- Hydrocarbon derivative
- 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 | Source: Biological location: |
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Role | Environmental role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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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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GC-MS | Triethylamine, non-derivatized, GC-MS Spectrum | splash10-000i-9000000000-5ac6f611cfc4eb91767d | Spectrum | GC-MS | Triethylamine, non-derivatized, GC-MS Spectrum | splash10-000i-9000000000-5ac6f611cfc4eb91767d | Spectrum | Predicted GC-MS | Triethylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0fi0-9100000000-0d4221c186a87a101377 | Spectrum | Predicted GC-MS | Triethylamine, 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 | splash10-0udi-0900000000-561d1404619070d9d054 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-1900000000-07d1fdec785fa87a68b7 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00b9-9100000000-79b582e1c26266f5cb34 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-188de1a5866892011e07 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-1900000000-665acea9e37e4543a27e | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-00di-9200000000-d07939a17df9e5deecfc | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0900000000-ab16eb91e20db4140f19 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-2900000000-f866f9eb6ea807580203 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udr-8900000000-268070f31c2645d742d9 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0900000000-45f4c25bccec6fb7d21c | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udj-6900000000-11e1f89721dde1a38438 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-b57ddb99f34369de5b60 | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 8158 |
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ChEMBL ID | CHEMBL284057 |
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KEGG Compound ID | C14691 |
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Pubchem Compound ID | 8471 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 35026 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB32539 |
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CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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EAFUS ID | 3731 |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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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 | rw1108621 |
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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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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 | |
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Files |
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MSDS | show |
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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 | |
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