| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:19:29 UTC |
|---|
| Update Date | 2020-06-04 20:48:45 UTC |
|---|
| BMDB ID | BMDB0000087 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Dimethylamine |
|---|
| 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. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 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 |
|
|---|
| Chemical Formula | C2H7N |
|---|
| Average Molecular Weight | 45.0837 |
|---|
| Monoisotopic Molecular Weight | 45.057849229 |
|---|
| IUPAC Name | dimethylamine |
|---|
| Traditional Name | dimethylamine |
|---|
| CAS Registry Number | 124-40-3 |
|---|
| SMILES | CNC |
|---|
| InChI Identifier | InChI=1S/C2H7N/c1-3-2/h3H,1-2H3 |
|---|
| InChI Key | ROSDSFDQCJNGOL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic nitrogen compounds |
|---|
| Class | Organonitrogen compounds |
|---|
| Sub Class | Amines |
|---|
| Direct Parent | Dialkylamines |
|---|
| Alternative Parents | |
|---|
| Substituents | - Secondary aliphatic amine
- Organopnictogen compound
- Hydrocarbon derivative
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Detected and Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Liquid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| 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) |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| Biological Properties |
|---|
| Cellular Locations | |
|---|
| Biospecimen Locations | - Blood
- Fibroblasts
- Milk
- Neuron
- Ruminal Fluid
|
|---|
| Pathways | |
|---|
| Normal Concentrations |
|---|
| |
| Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Fibroblasts | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 15 +/- 1 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 17 +/- 1 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 17 +/- 1 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 17 +/- 2 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 9.95 +/- 1.96 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 9.40 +/- 2.30 uM | Not Specified | Not Specified | Normal | | details | | Milk | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Milk | Detected and Quantified | 14.60 +/- 2.77 uM | Not Specified | Not Specified | Normal | | details | | Neuron | Expected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 7.59 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 29.5 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 33.7 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 4.36 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 21.4 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 47.1 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 51.6 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 9.5 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 22 +/- 6 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 47 +/- 45 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 52 +/- 31 uM | Not Specified | Not Specified | Normal | | details | | Ruminal Fluid | Detected and Quantified | 10 +/- 2 uM | Not Specified | Not Specified | Normal | | details |
|
|---|
| Abnormal Concentrations |
|---|
| |
| Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | All Mycobacterium avium subsp. paratuberculosis-infected | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | High dose Mycobacterium avium subsp. paratuberculosis-infected | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Low dose Mycobacterium avium subsp. paratuberculosis-infected | | details | | Blood | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Mycobacterium avium subsp. paratuberculosis infection | | details |
|
|---|
| External Links |
|---|
| HMDB ID | HMDB0000087 |
|---|
| DrugBank ID | Not Available |
|---|
| Phenol Explorer Compound ID | Not Available |
|---|
| FooDB ID | FDB012589 |
|---|
| KNApSAcK ID | Not Available |
|---|
| Chemspider ID | 654 |
|---|
| KEGG Compound ID | C00543 |
|---|
| BioCyc ID | DIMETHYLAMINE |
|---|
| BiGG ID | Not Available |
|---|
| Wikipedia Link | Dimethylamine |
|---|
| METLIN ID | 3758 |
|---|
| PubChem Compound | 674 |
|---|
| PDB ID | Not Available |
|---|
| ChEBI ID | 17170 |
|---|
| References |
|---|
| Synthesis Reference | Zones, Stacey I.; Burton, Allen W. Production of methylamine and dimethylamine using STI zeolite catalysts. U.S. Pat. Appl. Publ. (2007), 6pp. |
|---|
| Material Safety Data Sheet (MSDS) | Not Available |
|---|
| 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.
|
|---|
