| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:19:29 UTC |
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| Update Date | 2020-06-04 20:48:45 UTC |
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| MCDB ID | BMDB0000087 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Dimethylamine |
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| Description | Dimethylamine, also known as DMA or HNME2, belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. Dimethylamine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. Dimethylamine exists in all living organisms, ranging from bacteria to humans. Dimethylamine is a potentially toxic compound. |
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| Structure | |
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| Synonyms | | Value | Source |
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| DMA | ChEBI | | HNMe2 | ChEBI | | Me2nh | ChEBI | | N,N-Dimethylamine | ChEBI | | (CH3)2nh | Kegg | | Dimethylamine anhydrous | HMDB | | Dimethylamine anhydrous (dot) | HMDB | | Dimethylamine aqueous solution | HMDB | | Dimethylamine hydrobromide | HMDB | | Dimethylamine solution | HMDB | | N-Methyl-methanamine | HMDB | | N-Methylmethanamine | HMDB | | N-Methylmethanamine (acd/name 4.0) | HMDB | | Dimethylamine nitrate | HMDB | | Dimethylamine perchlorate | HMDB | | Dimethylamine sulfate | HMDB | | Dimethylamine hydrochloride | HMDB | | Dimethylamine phosphate (3:1) | HMDB | | Dimethylamine, conjugate acid | HMDB | | Dimethylammonium chloride | HMDB | | Dimethylamine sulfate (1:1) | HMDB | | Dimethylammonium formate | HMDB | | Dimethylamine monosulfate | HMDB |
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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 | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 124-40-3 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C2H7N/c1-3-2/h3H,1-2H3 |
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| InChI Key | ROSDSFDQCJNGOL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two 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 | Dialkylamines |
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| Alternative Parents | |
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| Substituents | - Secondary 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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| Physical Properties |
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| State | Liquid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | -92.2 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 1630 mg/mL at 40 °C | Not Available | | LogP | -0.38 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | Not Available |
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| Spectra |
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| Concentrations |
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| Detected but not Quantified | Not Applicable | | | details | | Detected and Quantified | 15 +/- 1 uM | | | details | | Detected and Quantified | 17 +/- 1 uM | | | details | | Detected and Quantified | 17 +/- 1 uM | | | details | | Detected and Quantified | 17 +/- 2 uM | | | details | | Detected and Quantified | 10 +/- 2 uM | | | details | | Detected and Quantified | 9.4 +/- 2.3 uM | | | details | | Detected and Quantified | 15 +/- 3 uM | | | details |
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| External Links |
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| HMDB ID | HMDB0000087 |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | FDB012589 |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 654 |
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| KEGG Compound ID | C00543 |
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| BioCyc ID | DIMETHYLAMINE |
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| BiGG ID | Not Available |
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| Wikipedia Link | Dimethylamine |
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| METLIN ID | 3758 |
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| PubChem Compound | 674 |
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| PDB ID | Not Available |
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| ChEBI ID | 17170 |
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| References |
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| Synthesis Reference | Zones, Stacey I.; Burton, Allen W. Production of methylamine and dimethylamine using STI zeolite catalysts. U.S. Pat. Appl. Publ. (2007), 6pp. |
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| Material Safety Data Sheet (MSDS) | Download (PDF) |
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| General References | - Maher AD, Hayes B, Cocks B, Marett L, Wales WJ, Rochfort SJ: Latent biochemical relationships in the blood-milk metabolic axis of dairy cows revealed by statistical integration of 1H NMR spectroscopic data. J Proteome Res. 2013 Mar 1;12(3):1428-35. doi: 10.1021/pr301056q. Epub 2013 Feb 21. [PubMed:23394630 ]
- O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. [PubMed:29642378 ]
- A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
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