Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]- (CED0172520)

Record Information

Version

1.0

Creation Date

2026-04-03 14:30:20 UTC

Update Date

2026-08-20 02:34:30 UTC

SynCED ID

CED0172520

Secondary Accession Numbers

CHEM064971

Identification

Common Name

Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]-

Class

Small Molecule

Description

Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]- is an organic compound with the formula C19H19Br1N6O5 and an average molecular weight of 491.30 g/mol. Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]- belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. In industrial applications, this substance is utilized as an intermediate and as a coalescing agent.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₉Br₁N₆O₅

Average Molecular Mass

491.302 g/mol

Monoisotopic Mass

490.060 g/mol

CAS Registry Number

14071-35-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)NC1=C(C=CC(=C1)N(CCO)CCO)N=NC1=C(C=C(C=C1Br)[N+]([O-])=O)C#N

InChI Identifier

InChI=1S/C19H19BrN6O5/c1-12(29)22-18-10-14(25(4-6-27)5-7-28)2-3-17(18)23-24-19-13(11-21)8-15(26(30)31)9-16(19)20/h2-3,8-10,27-28H,4-7H2,1H3,(H,22,29)/b24-23+

InChI Key

TZGRVPGNUHVFOB-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
2158.0 Log mg/kg [1200:3800]	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
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.267 Low confidence Statistical Significance 0.1453 Supporting Reference Compounds 205 E-value 1131.3
Click to view 3D structure	Casein kinase II subunit alpha	P68400	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.24 Low confidence Statistical Significance 0.4558 Supporting Reference Compounds 593 E-value 3548.52
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.226 Low confidence Statistical Significance 0.1199 Supporting Reference Compounds 146 E-value 933.101
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.238 Low confidence Statistical Significance 0.4687 Supporting Reference Compounds 412 E-value 3649.03
Click to view 3D structure	Homeodomain-interacting protein kinase 2	Q9H2X6	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.238 Low confidence Statistical Significance 0.518 Supporting Reference Compounds 505 E-value 4032.75
Click to view 3D structure	ATP phosphoribosyltransferase	P9WMN1	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.225 Low confidence Statistical Significance 0.0031 Supporting Reference Compounds 2 E-value 24.0554
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.247 Low confidence Statistical Significance 0.8569 Supporting Reference Compounds 1498 E-value 6670.74
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.225 Low confidence Statistical Significance 0.0308 Supporting Reference Compounds 73 E-value 239.542
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.238 Low confidence Statistical Significance 0.6888 Supporting Reference Compounds 906 E-value 5362.49
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.238 Low confidence Statistical Significance 0.6075 Supporting Reference Compounds 599 E-value 4729.11
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.234 Low confidence Statistical Significance 0.7558 Supporting Reference Compounds 1157 E-value 5883.84
Click to view 3D structure	Homeodomain-interacting protein kinase 4	Q8NE63	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.238 Low confidence Statistical Significance 0.5799 Supporting Reference Compounds 478 E-value 4514.4
Click to view 3D structure	Serine/threonine-protein kinase PLK3	Q9H4B4	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.237 Low confidence Statistical Significance 0.6101 Supporting Reference Compounds 561 E-value 4749.35
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.234 Low confidence Statistical Significance 0.7305 Supporting Reference Compounds 1029 E-value 5686.81
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.265 Low confidence Statistical Significance 0.1905 Supporting Reference Compounds 128 E-value 1483.42
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.247 Low confidence Statistical Significance 0.3327 Supporting Reference Compounds 343 E-value 2589.97
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 4	Q9NR20	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.238 Low confidence Statistical Significance 0.5464 Supporting Reference Compounds 393 E-value 4253.92
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.237 Low confidence Statistical Significance 0.6953 Supporting Reference Compounds 798 E-value 5412.78
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.226 Low confidence Statistical Significance 0.1582 Supporting Reference Compounds 119 E-value 1231.34
Click to view 3D structure	Serine/threonine-protein kinase pim-3	Q86V86	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.234 Low confidence Statistical Significance 0.617 Supporting Reference Compounds 497 E-value 4802.99
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.217 Low confidence Statistical Significance 0.7371 Supporting Reference Compounds 869 E-value 5738.03
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.213 Low confidence Statistical Significance 0.7471 Supporting Reference Compounds 782 E-value 5815.8
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.213 Low confidence Statistical Significance 0.7199 Supporting Reference Compounds 728 E-value 5604.75
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.213 Low confidence Statistical Significance 0.7626 Supporting Reference Compounds 961 E-value 5936.47
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.213 Low confidence Statistical Significance 0.7262 Supporting Reference Compounds 721 E-value 5653.64