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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-08 14:59:30 UTC
Update Date2023-02-21 17:18:40 UTC
HMDB IDHMDB0029198
Secondary Accession Numbers
  • HMDB29198
Metabolite Identification
Common NameDimethylurea
DescriptionDimethylurea belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Dimethylurea is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Dimethylurea.
Structure
Thumb
Synonyms
ValueSource
1,3-DimethylureaChEBI
N,N'-dimethylureaHMDB
N,N-Dimethyl-ureaHMDB
Chemical FormulaC3H8N2O
Average Molecular Weight88.1084
Monoisotopic Molecular Weight88.063662888
IUPAC Name1,3-dimethylurea
Traditional Namedimethylurea
CAS Registry NumberNot Available
SMILES
CNC(=O)NC
InChI Identifier
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChI KeyMGJKQDOBUOMPEZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassUreas
Direct ParentUreas
Alternative Parents
Substituents
  • Urea
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point108.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point269.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility16150 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-0.490The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID7021
KEGG Compound IDC16364
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDimethylurea
METLIN IDNot Available
PubChem Compound7293
PDB IDMMU
ChEBI ID80472
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1147651
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available