2,4,6-Trimethylmelamine (CED0096350)

Record Information
Version1.0
Creation Date2026-04-03 20:25:30 UTC
Update Date2026-08-23 06:07:13 UTC
SynCED IDCED0096350
Secondary Accession Numbers
  • CHEM067882
Identification
Common Name2,4,6-Trimethylmelamine
ClassSmall Molecule
Description
2,4,6-Trimethylmelamine is an organic compound with the chemical formula C6H12N6 and an average molecular weight of 168.20 g/mol. 2,4,6-Trimethylmelamine belongs to the aminotriazines, a subclass of triazines within the organic compounds. This substance is further classified as an organoheterocyclic compound. It has been identified in or released from four recorded sources. These sources consist of electrical and electronic equipment, specifically amplifiers, antennas, magnets, and auxiliary devices.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
2,4,6-Trimethylmelamine, monohydrochlorideMeSH
2,4,6-TrimethylmelamineMeSH
2,4,6-Trimethylmelamine acetateMeSH
N,N',n''-trimethylmelamineMeSH
Chemical FormulaC6H12N6
Average Molecular Mass168.204 g/mol
Monoisotopic Mass168.112 g/mol
CAS Registry Number2827-46-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC1=NC(NC)=NC(NC)=N1
InChI IdentifierInChI=1S/C6H12N6/c1-7-4-10-5(8-2)12-6(9-3)11-4/h1-3H3,(H3,7,8,9,10,11,12)
InChI KeyLGEXGKUJMFHVSY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-aliphatic s-triazines. These are n-aliphatic amine derivatives of 1,3,5-triazines. 1,3,5-Triazines are aromatic compounds having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazines
Sub ClassAminotriazines
Direct ParentN-aliphatic s-triazines
Alternative Parents
Substituents
  • N-aliphatic s-triazine
  • Secondary aliphatic/aromatic amine
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-014i-2900000000-589f87cb45416ea5d5a0Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
649.0 Log mg/kg [360:1200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000594Ship Hulls?Ship hulls are often treated with various synthetic chemicals to enhance durability, prevent corrosion, and inhibit the growth of marine organisms.Marine, shipping & aquaculturePubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000641Foam Dyeing?Foam dyeing is a textile dyeing technique that utilizes a foaming agent to create a dye solution in a gaseous form, allowing for the application of dyes onto fabrics.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000697Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.Marine, shipping & aquaculturePubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure3',5'-cyclic-AMP phosphodiesterase 4DP14270Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.268 Low confidence
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.278 Low confidence
Statistical Significance
0.7764
Supporting Reference Compounds
823
E-value
6044.21
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.268 Low confidence
Statistical Significance
0.8993
Supporting Reference Compounds
793
E-value
7000.75
Click to view 3D structureChloroplast thylakoid membrane protein (psbA)Q31945Chenopodium albumPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.233 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
2
E-value
12.0666
Click to view 3D structureProtoporphyrinogen IX oxidaseQ9SPL6Cichorium intybusPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.304
Statistical Significance
0.0019
Supporting Reference Compounds
2
E-value
14.7135
Cytochrome b6-f complex subunit 4 structureClick to view 3D structureCytochrome b6-f complex subunit 4P00166Spinacia oleraceaPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.304
Statistical Significance
6.80e-04
Supporting Reference Compounds
5
E-value
5.29375
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.278 Low confidence
Statistical Significance
0.9059
Supporting Reference Compounds
955
E-value
7052.59
5-hydroxytryptamine receptor 7 structureClick to view 3D structure5-hydroxytryptamine receptor 7P34969HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.278 Low confidence
Statistical Significance
0.8428
Supporting Reference Compounds
565
E-value
6561.44
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.278 Low confidence
Statistical Significance
0.8864
Supporting Reference Compounds
536
E-value
6900.87
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.324
Statistical Significance
0.7949
Supporting Reference Compounds
472
E-value
6187.92
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.268 Low confidence
Statistical Significance
0.9809
Supporting Reference Compounds
1245
E-value
7636.15
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.324
Statistical Significance
0.7841
Supporting Reference Compounds
332
E-value
6103.85
5-hydroxytryptamine receptor 1D structureClick to view 3D structure5-hydroxytryptamine receptor 1DP28221HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.278 Low confidence
Statistical Significance
0.916
Supporting Reference Compounds
365
E-value
7130.91
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.189 Low confidence
Statistical Significance
0.959
Supporting Reference Compounds
668
E-value
7465.66
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.178 Low confidence
Statistical Significance
0.9815
Supporting Reference Compounds
1301
E-value
7640.98
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.178 Low confidence
Statistical Significance
0.9792
Supporting Reference Compounds
1660
E-value
7622.92
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.268 Low confidence
Statistical Significance
0.3402
Supporting Reference Compounds
68
E-value
2648.74
Leucine-rich repeat serine/threonine-protein kinase 2 structureClick to view 3D structureLeucine-rich repeat serine/threonine-protein kinase 2Q5S007HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.205 Low confidence
Statistical Significance
0.9352
Supporting Reference Compounds
336
E-value
7280.77
Click to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH3Q9ULD8HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
0.0668
Supporting Reference Compounds
1
E-value
519.721
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.268 Low confidence
Statistical Significance
0.9861
Supporting Reference Compounds
825
E-value
7677.1
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.172 Low confidence
Statistical Significance
0.9828
Supporting Reference Compounds
1130
E-value
7650.87
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.178 Low confidence
Statistical Significance
0.97
Supporting Reference Compounds
996
E-value
7551.14
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.286 Low confidence
Statistical Significance
0.7681
Supporting Reference Compounds
109
E-value
5979.6
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.182 Low confidence
Statistical Significance
0.9757
Supporting Reference Compounds
1029
E-value
7595.83
Angiopoietin-1 receptor structureClick to view 3D structureAngiopoietin-1 receptorQ02763HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.172 Low confidence
Statistical Significance
0.9274
Supporting Reference Compounds
285
E-value
7220.05
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0259246
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID16824
ChEBI IDNot Available
PubChem Compound ID17804
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available