Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI) (CED0168727)

Record Information

Version

1.0

Creation Date

2026-04-06 10:45:51 UTC

Update Date

2026-08-23 17:36:16 UTC

Accession Number

CHEM122818

Identification

Common Name

Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI)

Class

Small Molecule

Description

Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI) is an organic compound with the formula C7H11Br1N2O2 and an average molecular weight of 235.08 g/mol. Acrylamide, N-[(3-bromopropionamido)methyl]- (8CI) belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from 11 recorded sources across various sectors. Within the category of electrical and electronic equipment, it is associated with antennas, magnets, sparking plugs, fixed capacitors and their manufacture, and electrically stimulated smoking devices. In the realm of food, food processing and cookware, the compound is linked to the processing of meats, the treatment of hops, and the preparation of wort, wine, or sparkling wine. Additionally, it is found in building and construction materials, specifically ceilings, as well as in household cleaning and consumer products such as bleaching agents.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₁Br₁N₂O₂

Average Molecular Mass

235.081 g/mol

Monoisotopic Mass

234.000 g/mol

CAS Registry Number

4213-51-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrCCC(=O)NCNC(=O)C=C

InChI Identifier

InChI=1S/C7H11BrN2O2/c1-2-6(11)9-5-10-7(12)3-4-8/h2H,1,3-5H2,(H,9,11)(H,10,12)

InChI Key

CDOUZKKFHVEKRI-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
243.0	Log mg/kg	[140:430]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
233	Brushes	Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
585	Canoes And Kayaks	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
645	Inorganic Fibres	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
655	Slide Fasteners	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	0.856341
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	80.2626
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	2598.61
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	2462.6
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	659.772
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	1964.45
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	3190.65
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	3076.83
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	7246.59
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	6894.72
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21980	Humans	Predicted (SEA)	573.827
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	1358.94
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	7170.3
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	26.7801
Click to view 3D structure	Cannabinoid receptor 2	Q9QZN9	Rattus norvegicus	Predicted (SEA)	346.507
Click to view 3D structure	Tyrosine-protein kinase ITK/TSK	Q08881	Humans	Predicted (SEA)	6916.67
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	56.285
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	7441.69
Click to view 3D structure	Tyrosine-protein kinase Tec	P42680	Humans	Predicted (SEA)	5649.67
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21981	Mus musculus	Predicted (SEA)	149.237
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	O35433	Rattus norvegicus	Predicted (SEA)	1462.09
Click to view 3D structure	Trypanothione reductase	P39040	Crithidia fasciculata	Predicted (SEA)	225.529
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	297.384
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	1853.12
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase K	P22735	Humans	Predicted (SEA)	541.908