Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- (CED0181568)

Record Information

Version

1.0

Creation Date

2026-04-04 03:29:49 UTC

Update Date

2026-08-21 18:08:45 UTC

SynCED ID

CED0181568

Secondary Accession Numbers

CHEM071134

Identification

Common Name

Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl-

Class

Small Molecule

Description

Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- is an organic compound with the formula C19H21N3O2 and an average molecular weight of 370.42 g/mol. Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-4-methyl- belongs to the linear diarylheptanoids, a subclass of diarylheptanoids within the organic compounds. This substance is associated with three recorded sources related to electrical and electronic equipment. These sources include superconducting magnets and superconducting coils, gas filled discharge tubes with solid cathode, and discharge lamps.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₁N₃O₂

Average Molecular Mass

370.416 g/mol

Monoisotopic Mass

323.163 g/mol

CAS Registry Number

5284-79-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1CC(=CC2=CC=C(C=C2)N=[N+]=[N-])C(=O)C(C1)=CC1=CC=C(C=C1)N=[N+]=[N-]

InChI Identifier

InChI=1S/C19H21N3O2/c1-19(2)12-14-6-4-5-7-16(14)17(20-19)21-22-18(23)13-8-10-15(24-3)11-9-13/h4-11H,12H2,1-3H3,(H,20,21)(H,22,23)

InChI Key

MLIWQXBKMZNZNF-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1000.0 Log mg/kg [560:1800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors 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 Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?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 Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000523	Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000535	Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.	Electrical & Electronic Equipment	PubChem
CEDs000561	Perfumes 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 products	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.302 Statistical Significance 0.0966 Supporting Reference Compounds 75 E-value 752.335
Click to view 3D structure	Dual specificity protein phosphatase	Q7T2L8	Danio rerio	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.22 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.8877
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.224 Low confidence Statistical Significance 0.7182 Supporting Reference Compounds 1157 E-value 5590.9
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.341 Statistical Significance 0.0349 Supporting Reference Compounds 29 E-value 271.849
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.381 Statistical Significance 0.1613 Supporting Reference Compounds 157 E-value 1255.47
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.25 Low confidence Statistical Significance 0.5679 Supporting Reference Compounds 389 E-value 4420.75
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.258 Low confidence Statistical Significance 0.3326 Supporting Reference Compounds 206 E-value 2589.5
Click to view 3D structure	Nucleotide-binding oligomerization domain-containing protein 2	Q9HC29	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.302 Statistical Significance 0.1663 Supporting Reference Compounds 71 E-value 1294.71
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.25 Low confidence Statistical Significance 0.5042 Supporting Reference Compounds 263 E-value 3924.85
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.296 Low confidence Statistical Significance 0.3858 Supporting Reference Compounds 1301 E-value 3003.35
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.296 Low confidence Statistical Significance 0.1642 Supporting Reference Compounds 406 E-value 1278.05
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.265 Low confidence Statistical Significance 0.1367 Supporting Reference Compounds 315 E-value 1064.04
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.281 Low confidence Statistical Significance 0.1111 Supporting Reference Compounds 196 E-value 865.061
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.381 Statistical Significance 0.1781 Supporting Reference Compounds 372 E-value 1386.49
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.381 Statistical Significance 0.2201 Supporting Reference Compounds 472 E-value 1713.62
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.281 Low confidence Statistical Significance 0.4769 Supporting Reference Compounds 906 E-value 3712.71
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.381 Statistical Significance 0.2209 Supporting Reference Compounds 407 E-value 1719.84
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.25 Low confidence Statistical Significance 0.6236 Supporting Reference Compounds 1660 E-value 4854.52
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Q9Y463	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.281 Low confidence Statistical Significance 0.3419 Supporting Reference Compounds 377 E-value 2661.35
Click to view 3D structure	Dual specificity protein kinase CLK1	P49759	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.281 Low confidence Statistical Significance 0.2415 Supporting Reference Compounds 268 E-value 1880.29
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.288 Low confidence Statistical Significance 0.1813 Supporting Reference Compounds 226 E-value 1411.17
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.288 Low confidence Statistical Significance 0.1816 Supporting Reference Compounds 227 E-value 1413.74
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.259 Low confidence Statistical Significance 0.2007 Supporting Reference Compounds 241 E-value 1562.43
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.5842 Supporting Reference Compounds 797 E-value 4547.64
Click to view 3D structure	RAC-beta serine/threonine-protein kinase	P31751	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.5194 Supporting Reference Compounds 631 E-value 4043.25