Dimethyl-[3-(prop-2-enoylamino)propyl]-(3-sulfopropyl)azanium (CED0234411)

Record Information

Version

1.0

Creation Date

2026-08-27 17:57:48 UTC

Update Date

2026-08-27 17:57:48 UTC

Accession Number

CHEM278362

Identification

Common Name

Dimethyl-[3-(prop-2-enoylamino)propyl]-(3-sulfopropyl)azanium

Class

Small Molecule

Description

Dimethyl-[3-(prop-2-enoylamino)propyl]-(3-sulfopropyl)azanium belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This compound has the chemical formula C11H23N2O4S+ and an average molecular weight of 279.38 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₂₃N₂O₄S+

Average Molecular Mass

Not Available

Monoisotopic Mass

279.138 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)(CCCNC(=O)C=C)CCCS(=O)(=O)O

InChI Identifier

InChI=1S/C11H22N2O4S/c1-4-11(14)12-7-5-8-13(2,3)9-6-10-18(15,16)17/h4H,1,5-10H2,2-3H3,(H-,12,14,15,16,17)/p+1

InChI Key

KVKJQOXYGGPBIW-UHFFFAOYSA-O

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
2734.0	Log mg/kg	[1500:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
730	Contact Lens Cases	Healthcare, pharmaceuticals & veterinary products	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	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	5.91654
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21981	Mus musculus	Predicted (SEA)	8.56341
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21980	Humans	Predicted (SEA)	127.206
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	5245.01
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	2976.72
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	6134.83
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	6437.12
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase K	P22735	Humans	Predicted (SEA)	301.588
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	1155.44
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	978.798
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	76.7593
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	76.7593
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	4270.96
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	5561.7
Click to view 3D structure	Palmitoyltransferase ZDHHC2	Q9UIJ5	Humans	Predicted (SEA)	62.5129
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	5682.84
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	5451.86
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	2271.02
Click to view 3D structure	Polyamine oxidase 1	O64411	Zea mays	Predicted (SEA)	15.1806
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	3666.39
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	7062.79
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	7127.49
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	7053.76
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	36.5891
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	7077.97