| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:58 UTC |
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| Update date | 2017-01-19 02:36:26 UTC |
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| FoodComEx ID | PC000502 |
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| FoodDB Record | FDB022715 |
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| Chemical Information |
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| Name | 3-Methylhistamine |
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| Description | N tau-methylhistamine is one of the histamine metabolites. N tau-methylhistamine in plasma and urine is a good parameter for histamine release, and the determination of this histamine metabolite is generally less hampered by possible artifacts (due to basophil disrupture, a very short half-life time or bacterial production) than determinations of histamine itself. (PMID 2409780) [HMDB] |
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| CAS Number | 644-42-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| L-histamine deriv. 1 | hmdb | | N-Tau-methylhistamine | hmdb | | N(tau)-methylhistamine | hmdb | | Tau-methylhistamine | hmdb |
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| Chemical Formula | C6H11N3 |
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| IUPAC name | 2-(1-methyl-1H-imidazol-5-yl)ethan-1-amine |
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| InChI Identifier | InChI=1S/C6H11N3/c1-9-5-8-4-6(9)2-3-7/h4-5H,2-3,7H2,1H3 |
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| InChI Key | CPAGZVLINCPJEH-UHFFFAOYSA-N |
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| Isomeric SMILES | CN1C=NC=C1CCN |
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| Average Molecular Weight | 125.1716 |
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| Monoisotopic Molecular Weight | 125.095297367 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic 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 | 2-arylethylamines |
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| Alternative Parents | |
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| Substituents | - 2-arylethylamine
- Aralkylamine
- N-substituted imidazole
- Heteroaromatic compound
- Imidazole
- Azole
- Azacycle
- Organoheterocyclic compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary aliphatic amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 20 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
