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Record Information
Version1.0
Creation Date2016-09-30 22:19:29 UTC
Update Date2020-06-04 20:48:45 UTC
MCDB ID BMDB0000087
Secondary Accession Numbers
  • BMDB00087
Metabolite Identification
Common NameDimethylamine
DescriptionDimethylamine, 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
Thumb
Synonyms
ValueSource
DMAChEBI
HNMe2ChEBI
Me2nhChEBI
N,N-DimethylamineChEBI
(CH3)2nhKegg
Dimethylamine anhydrousHMDB
Dimethylamine anhydrous (dot)HMDB
Dimethylamine aqueous solutionHMDB
Dimethylamine hydrobromideHMDB
Dimethylamine solutionHMDB
N-Methyl-methanamineHMDB
N-MethylmethanamineHMDB
N-Methylmethanamine (acd/name 4.0)HMDB
Dimethylamine nitrateHMDB
Dimethylamine perchlorateHMDB
Dimethylamine sulfateHMDB
Dimethylamine hydrochlorideHMDB
Dimethylamine phosphate (3:1)HMDB
Dimethylamine, conjugate acidHMDB
Dimethylammonium chlorideHMDB
Dimethylamine sulfate (1:1)HMDB
Dimethylammonium formateHMDB
Dimethylamine monosulfateHMDB
Chemical FormulaC2H7N
Average Molecular Weight45.0837
Monoisotopic Molecular Weight45.057849229
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number124-40-3
SMILESNot Available
InChI Identifier
InChI=1S/C2H7N/c1-3-2/h3H,1-2H3
InChI KeyROSDSFDQCJNGOL-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.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylamines
Alternative Parents
Substituents
  • Secondary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-92.2 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1630 mg/mL at 40 °CNot Available
LogP-0.38HANSCH,C ET AL. (1995)
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
Concentrations
StatusValueReferenceDetails
Detected but not QuantifiedNot Applicable details
Detected and Quantified15 +/- 1 uM details
Detected and Quantified17 +/- 1 uM details
Detected and Quantified17 +/- 1 uM details
Detected and Quantified17 +/- 2 uM details
Detected and Quantified10 +/- 2 uM details
Detected and Quantified9.4 +/- 2.3 uM details
Detected and Quantified15 +/- 3 uM details
HMDB IDHMDB0000087
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB012589
KNApSAcK IDNot Available
Chemspider ID654
KEGG Compound IDC00543
BioCyc IDDIMETHYLAMINE
BiGG IDNot Available
Wikipedia LinkDimethylamine
METLIN ID3758
PubChem Compound674
PDB IDNot Available
ChEBI ID17170
References
Synthesis ReferenceZones, 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)Download (PDF)
General References
  1. 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 ]
  2. 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 ]
  3. 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.