1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis[N-[3-[[4,6-bis[butyl(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N',N''-dibutyl-N',N''-bis(1,2,2,6,6-pentamethyl (CED0100201)

Record Information
Version1.0
Creation Date2016-05-19 02:59:57 UTC
Update Date2026-08-27 22:40:55 UTC
SynCED IDCED0100201
Secondary Accession Numbers
  • CHEM009196
Identification
Common Name1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis[N-[3-[[4,6-bis[butyl(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N',N''-dibutyl-N',N''-bis(1,2,2,6,6-pentamethyl
ClassSmall Molecule
Description
1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis[N-[3-[[4,6-bis[butyl(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N',N''-dibutyl-N',N''-bis(1,2,2,6,6-pentamethyl belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. With an average molecular weight of 2,286 g/mol, 1,3,5-Triazine-2,4,6-triamine, N,N'''-1,2-ethanediylbis[N-[3-[[4,6-bis[butyl(1,2,2,6,6-pentamethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]propyl]-N',N''-dibutyl-N',N''-bis(1,2,2,6,6-pentamethyl is a heavy molecule. Its chemical formula is C132H250N32. In industrial applications, this compound serves as a heat stabilizer, stabilizing agent, UV stabilizer, and antioxidant. It has been identified in three recorded sources: power cables within electrical and electronic equipment, drinking water and water supply, and the processing of meats within food, food processing and cookware. The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC132H250N32
Average Molecular Mass2285.676 g/mol
Monoisotopic Mass2284.055 g/mol
CAS Registry Number106990-43-6
IUPAC NameN2-[2-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}[3-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-2,5-dihydro-1,3,5-triazin-2-ylidene}amino)propyl]amino)ethyl]-N2-[3-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-2,5-dihydro-1,3,5-triazin-2-ylidene}amino)propyl]-N4,N6-dibutyl-N4,N6-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
Traditional NameN2-[2-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl}[3-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-5H-1,3,5-triazin-2-ylidene}amino)propyl]amino)ethyl]-N2-[3-({4,6-bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-5H-1,3,5-triazin-2-ylidene}amino)propyl]-N4,N6-dibutyl-N4,N6-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NCCCN(CCN(CCCN=C2N=C(NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)C2=NC(=NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)C2=NC(=NC(=N2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)N=C(N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1
InChI IdentifierInChI=1S/C132H250N32/c1-49-57-71-157(97-81-117(9,10)147(41)118(11,12)82-97)109-135-105(136-110(143-109)158(72-58-50-2)98-83-119(13,14)148(42)120(15,16)84-98)133-67-65-69-155(107-139-113(161(75-61-53-5)101-89-125(25,26)151(45)126(27,28)90-101)145-114(140-107)162(76-62-54-6)102-91-127(29,30)152(46)128(31,32)92-102)79-80-156(108-141-115(163(77-63-55-7)103-93-129(33,34)153(47)130(35,36)94-103)146-116(142-108)164(78-64-56-8)104-95-131(37,38)154(48)132(39,40)96-104)70-66-68-134-106-137-111(159(73-59-51-3)99-85-121(17,18)149(43)122(19,20)86-99)144-112(138-106)160(74-60-52-4)100-87-123(21,22)150(44)124(23,24)88-100/h97-104H,49-96H2,1-48H3,(H,133,135,136,143)(H,134,137,138,144)
InChI KeyOWXXKGVQBCBSFJ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylarylamines
Alternative Parents
Substituents
  • Dialkylarylamine
  • Amino-1,3,5-triazine
  • Aminotriazine
  • Secondary aliphatic/aromatic amine
  • N-aliphatic s-triazine
  • Piperidine
  • Triazine
  • 1,3,5-triazine
  • Heteroaromatic compound
  • Tertiary aliphatic amine
  • Organoheterocyclic compound
  • Secondary amine
  • Azacycle
  • Organopnictogen compound
  • Hydrocarbon derivative
  • 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 Properties
PropertyValueSource
Water Solubility0.0082 g/LALOGPS
logP6.87ALOGPS
logP25.52ChemAxon
logS-5.4ALOGPS
pKa (Strongest Basic)10.71ChemAxon
Physiological Charge13ChemAxon
Hydrogen Acceptor Count32ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area233.88 ŲChemAxon
Rotatable Bond Count53ChemAxon
Refractivity706.98 m³·mol⁻¹ChemAxon
Polarizability284.55 ųChemAxon
Number of Rings12ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot 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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
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 EquipmentNot Available
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentNot Available
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwareNot Available
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwareNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsNot Available
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsNot Available
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsNot Available
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 & furnishingsNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
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 processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
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 productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Potassium-transporting ATPase subunit beta structureClick to view 3D structurePotassium-transporting ATPase subunit betaP18434Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.191 Low confidence
Statistical Significance
0.0076
Supporting Reference Compounds
1
E-value
58.9319
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.21 Low confidence
Statistical Significance
0.0427
Supporting Reference Compounds
38
E-value
332.805
Click to view 3D structureDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1AP14100Bos taurusPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.198 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
2
E-value
12.2223
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.21 Low confidence
Statistical Significance
0.7229
Supporting Reference Compounds
302
E-value
5627.95
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.192 Low confidence
Statistical Significance
0.5584
Supporting Reference Compounds
221
E-value
4347.1
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.21 Low confidence
Statistical Significance
0.7004
Supporting Reference Compounds
187
E-value
5452.33
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.21 Low confidence
Statistical Significance
0.8616
Supporting Reference Compounds
391
E-value
6707.88
Corticotropin-releasing factor receptor 1 structureClick to view 3D structureCorticotropin-releasing factor receptor 1P34998HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.198 Low confidence
Statistical Significance
0.0353
Supporting Reference Compounds
16
E-value
274.963
Click to view 3D structureD(2) dopamine receptorP20288Bos taurusPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.216 Low confidence
Statistical Significance
0.4236
Supporting Reference Compounds
72
E-value
3298.0
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.192 Low confidence
Statistical Significance
0.6408
Supporting Reference Compounds
174
E-value
4988.97
Click to view 3D structure3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7P56937HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.174 Low confidence
Statistical Significance
0.0051
Supporting Reference Compounds
1
E-value
39.3917
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.174
Applicability Domain
0.21 Low confidence
Statistical Significance
0.8745
Supporting Reference Compounds
303
E-value
6808.15
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.216 Low confidence
Statistical Significance
0.8775
Supporting Reference Compounds
528
E-value
6831.58
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.185 Low confidence
Statistical Significance
0.5108
Supporting Reference Compounds
72
E-value
3976.77
Cell division protein FtsZ structureClick to view 3D structureCell division protein FtsZP9WN95Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.165 Low confidence
Statistical Significance
0.0939
Supporting Reference Compounds
1
E-value
730.926
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.17 Low confidence
Statistical Significance
0.9482
Supporting Reference Compounds
541
E-value
7381.59
Click to view 3D structureAlpha-1A adrenergic receptorP18130Bos taurusPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.17 Low confidence
Statistical Significance
0.7252
Supporting Reference Compounds
85
E-value
5645.78
Click to view 3D structure5-hydroxytryptamine receptor 2AQ75Z89Bos taurusPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.17 Low confidence
Statistical Significance
0.4337
Supporting Reference Compounds
35
E-value
3376.17
Guanine nucleotide-binding protein G(o) subunit alpha structureClick to view 3D structureGuanine nucleotide-binding protein G(o) subunit alphaP09471HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.174 Low confidence
Statistical Significance
0.0165
Supporting Reference Compounds
2
E-value
128.296
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9778
Supporting Reference Compounds
562
E-value
7612.25
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.188 Low confidence
Statistical Significance
0.9935
Supporting Reference Compounds
1498
E-value
7734.09
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorQ28838Bos taurusPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.163 Low confidence
Statistical Significance
0.3589
Supporting Reference Compounds
32
E-value
2793.7
cGMP-specific 3',5'-cyclic phosphodiesterase structureClick to view 3D structurecGMP-specific 3',5'-cyclic phosphodiesteraseO76074HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.175 Low confidence
Statistical Significance
0.9293
Supporting Reference Compounds
183
E-value
7234.45
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9796
Supporting Reference Compounds
527
E-value
7626.27
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9874
Supporting Reference Compounds
1103
E-value
7686.83
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
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 IDNot Available
ChEBI IDNot Available
PubChem Compound ID163763
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available