4-ethenyl-1-ethylpyridin-1-ium (CED0314798)

Record Information

Version

1.0

Creation Date

2026-09-01 15:09:03 UTC

Update Date

2026-09-01 15:09:03 UTC

SynCED ID

CED0314798

Secondary Accession Numbers

CHEM360722

Identification

Common Name

4-ethenyl-1-ethylpyridin-1-ium

Class

Small Molecule

Description

4-ethenyl-1-ethylpyridin-1-ium is a chemical compound with the formula C9H12N+. It has an average molecular weight of 134.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₂N+

Average Molecular Mass

Not Available

Monoisotopic Mass

134.097 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC[N+]1=CC=C(C=C1)C=C

InChI Identifier

InChI=1S/C9H12N/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3/q+1

InChI Key

YORNOYIKCMVNMD-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
1562.0 Log mg/kg [880:2800]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	Not Available

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	Choline O-acetyltransferase	P32738	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.421 Statistical Significance 3.20e-04 Supporting Reference Compounds 6 E-value 2.49118
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.239 Low confidence Statistical Significance 0.4495 Supporting Reference Compounds 406 E-value 3499.56
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P22770	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 1 E-value 68.7409
Click to view 3D structure	Seed linoleate 9S-lipoxygenase	P24095	Glycine max	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 1 E-value 4.04816
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.217 Low confidence Statistical Significance 0.5537 Supporting Reference Compounds 205 E-value 4310.59
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.235 Low confidence Statistical Significance 0.9043 Supporting Reference Compounds 955 E-value 7039.83
Click to view 3D structure	Acetylcholinesterase	P37136	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.421 Statistical Significance 0.3606 Supporting Reference Compounds 95 E-value 2807.17
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.235 Low confidence Statistical Significance 0.8548 Supporting Reference Compounds 487 E-value 6654.24
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.235 Low confidence Statistical Significance 0.7802 Supporting Reference Compounds 391 E-value 6073.87
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.216 Low confidence Statistical Significance 0.6804 Supporting Reference Compounds 234 E-value 5296.63
Click to view 3D structure	Protein Rev	P05866	Human immunodeficiency virus type 1 group M subtype B (isolate WMJ22)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.5217
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.317 Statistical Significance 0.2429 Supporting Reference Compounds 35 E-value 1891.04
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.195 Low confidence Statistical Significance 0.6769 Supporting Reference Compounds 201 E-value 5269.93
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.235 Low confidence Statistical Significance 0.9249 Supporting Reference Compounds 506 E-value 7199.96
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.235 Low confidence Statistical Significance 0.9206 Supporting Reference Compounds 593 E-value 7166.49
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.235 Low confidence Statistical Significance 0.9002 Supporting Reference Compounds 385 E-value 7007.99
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.235 Low confidence Statistical Significance 0.862 Supporting Reference Compounds 310 E-value 6710.91
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.235 Low confidence Statistical Significance 0.9505 Supporting Reference Compounds 823 E-value 7399.65
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.235 Low confidence Statistical Significance 0.6673 Supporting Reference Compounds 118 E-value 5195.27
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.235 Low confidence Statistical Significance 0.8764 Supporting Reference Compounds 340 E-value 6822.71
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.208 Low confidence Statistical Significance 0.821 Supporting Reference Compounds 175 E-value 6391.5
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.235 Low confidence Statistical Significance 0.9514 Supporting Reference Compounds 707 E-value 7406.26
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.19 Low confidence Statistical Significance 0.7708 Supporting Reference Compounds 226 E-value 6000.77
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.19 Low confidence Statistical Significance 0.7715 Supporting Reference Compounds 227 E-value 6006.15
Click to view 3D structure	Acetylcholinesterase	P23795	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.205 Low confidence Statistical Significance 0.2821 Supporting Reference Compounds 50 E-value 2196.05