2-[n-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol (CED0283830)

Record Information

Version

1.0

Creation Date

2026-08-30 14:42:26 UTC

Update Date

2026-08-30 14:42:26 UTC

SynCED ID

CED0283830

Secondary Accession Numbers

CHEM329239

Identification

Common Name

2-[n-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol

Class

Small Molecule

Description

2-[n-ethyl-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-methylanilino]ethanol is a compound with the formula C22H32N4O2. It has an average molecular weight of 384.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₂H₃₂N₄O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

384.253 g/mol

CAS Registry Number

102424-25-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CC)CCO)C)C

InChI Identifier

InChI=1S/C22H32N4O2/c1-5-25(11-13-27)19-7-9-21(17(3)15-19)23-24-22-10-8-20(16-18(22)4)26(6-2)12-14-28/h7-10,15-16,27-28H,5-6,11-14H2,1-4H3

InChI Key

UQACKAULSXYLJH-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

yellow colour ?
red colour ?
purple colour ?
pink colour ?
magenta colour ?

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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0006-0908000000-cdc185d57b7589e585de	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kr-0009000000-a5ac31862fab430df36d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kr-0009000000-fa702b942bc990c37bbb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-06us-0923000000-d2e6255e526f0a33ab4b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0aei-0009000000-16e7a5fa652a0ef007e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-0009000000-c241a1d51d38a4651cd2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0c29-0429000000-53b6f86a5a82626a3e52	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1433.0 Log mg/kg [810:2500]	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
breast cancer	Associated With?	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC11631162

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000013	Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.	Agriculture & land management	PMC13307425 , PMC11991193
CEDs000646	Leather?Leather production involves the use of various synthetic chemicals, such as chromium salts, aldehydes, and aniline dyes, which are employed in the tanning and finishing processes.	Textiles, leather & furnishings	PMC9483650
CEDs01148	Milk	Food, food processing & cookware	PMC10314154
CEDs01239	Tea	Food, food processing & cookware	PMC4392690
CEDs01917	Food Industry	Industrial manufacturing & chemical processing	PMC9483650
CEDs02255	Water	Aquatic systems & sediments	PMC11547728 , PMC12878507
CEDs03009	Waste Water	Wastewater, sanitation & biosolids	PMC4099358 , PMC12387045
CEDs03013	Effluents	Wastewater, sanitation & biosolids	PMC12943673 , PMC9483650
CEDs03025	Industrial Effluents	Wastewater, sanitation & biosolids	PMC13307425 , PMC13453968
CEDs03104	Textile Wastewater	Wastewater, sanitation & biosolids	PMC8645103 , PMC10850744
CEDs03203	Textile	Textiles, leather & furnishings	PMC9483650
CEDs03215	Clothing	Textiles, leather & furnishings	PMC8434964

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	Immunoglobulin lambda variable 6-57	P01721	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.34 Statistical Significance 4.20e-04 Supporting Reference Compounds 2 E-value 3.26967
Click to view 3D structure	Cytochrome P450 4F12	Q9HCS2	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.3 Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.1686
Click to view 3D structure	Cytochrome P450 4F11	Q9HBI6	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.3 Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 14.1686
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.262 Low confidence Statistical Significance 0.2018 Supporting Reference Compounds 205 E-value 1571.31
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.232 Low confidence Statistical Significance 0.7241 Supporting Reference Compounds 811 E-value 5636.83
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.232 Low confidence Statistical Significance 0.6584 Supporting Reference Compounds 565 E-value 5125.52
Click to view 3D structure	Exopolyphosphatase PRUNE1	Q86TP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.228 Low confidence Statistical Significance 1.90e-04 Supporting Reference Compounds 2 E-value 1.47914
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.232 Low confidence Statistical Significance 0.7281 Supporting Reference Compounds 834 E-value 5668.28
Click to view 3D structure	Beta-glucuronidase	P12265	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 0.005 Supporting Reference Compounds 1 E-value 38.6132
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.3 Statistical Significance 0.8316 Supporting Reference Compounds 793 E-value 6473.86
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.238 Low confidence Statistical Significance 0.183 Supporting Reference Compounds 91 E-value 1424.41
Click to view 3D structure	Sterol carrier protein 2	P22307	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0123 Supporting Reference Compounds 1 E-value 95.5988
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.25 Low confidence Statistical Significance 0.551 Supporting Reference Compounds 425 E-value 4289.65
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.3 Statistical Significance 0.9061 Supporting Reference Compounds 1130 E-value 7053.68
Click to view 3D structure	Large neutral amino acids transporter small subunit 1	Q63016	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.203 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.5698
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.359 Statistical Significance 0.1592 Supporting Reference Compounds 108 E-value 1239.67
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P00352	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.34 Statistical Significance 0.062 Supporting Reference Compounds 31 E-value 483.054
Click to view 3D structure	Mitogen-activated protein kinase 10	P53779	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.232 Low confidence Statistical Significance 0.6638 Supporting Reference Compounds 295 E-value 5167.79
Click to view 3D structure	Sphingomyelin phosphodiesterase 2	O70572	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0265 Supporting Reference Compounds 1 E-value 206.612
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.3 Statistical Significance 0.9362 Supporting Reference Compounds 1245 E-value 7288.56
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.238 Low confidence Statistical Significance 0.2849 Supporting Reference Compounds 111 E-value 2218.31
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.255 Low confidence Statistical Significance 0.7672 Supporting Reference Compounds 553 E-value 5972.36
Click to view 3D structure	Orexin/Hypocretin receptor type 1	O43613	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.262 Low confidence Statistical Significance 0.2894 Supporting Reference Compounds 70 E-value 2252.65
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.264 Low confidence Statistical Significance 0.383 Supporting Reference Compounds 115 E-value 2982.01
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.241 Low confidence Statistical Significance 0.9495 Supporting Reference Compounds 1498 E-value 7391.55
Click to view 3D structure	NAD(P)H dehydrogenase [quinone] 1	P15559	Humans	Known	Not Available