1-[(e)-2-phenylethenyl]pyridin-1-ium (CED0238708)

Record Information

Version

1.0

Creation Date

2026-08-27 23:13:49 UTC

Update Date

2026-08-27 23:13:49 UTC

Accession Number

CHEM282813

Identification

Common Name

1-[(e)-2-phenylethenyl]pyridin-1-ium

Class

Small Molecule

Description

1-[(e)-2-phenylethenyl]pyridin-1-ium is an organic compound with the formula C13H12N+ and an average molecular weight of 182.24 g/mol. 1-[(e)-2-phenylethenyl]pyridin-1-ium belongs to the styrenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized under the superclass of benzenoids. It has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₂N+

Average Molecular Mass

Not Available

Monoisotopic Mass

182.097 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC=C(C=C1)C=C[N+]2=CC=CC=C2

InChI Identifier

InChI=1S/C13H12N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1-12H/q+1/b12-9+

InChI Key

RJQWSGKDKPNQRQ-FMIVXFBMSA-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
253.0	Log mg/kg	[140:450]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
688	Glass Coatings	Building & Construction	Not Available
696	Nanotechnology	Industrial manufacturing & chemical processing	Not Available
727	Printing Machines Or Presses	Paper, pulp & fiber products	Not Available
739	Inks	Paper, pulp & fiber products	Not Available
741	Pigment Pastes	Paper, pulp & fiber products	Not Available
744	Water, Wastewater, & Sewage Treatment	Wastewater, sanitation & biosolids	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	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1054.16
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	821.309
Click to view 3D structure	Metabotropic glutamate receptor 5	P41594	Humans	Predicted (SEA)	205.678
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	1050.42
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	53.8717
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	2468.52
Click to view 3D structure	Luciferin 4-monooxygenase	P08659	Photinus pyralis	Predicted (SEA)	656.892
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	2086.98
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	6.38364
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	9.18621
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	172.981
Click to view 3D structure	Cytochrome P450 1B1	Q16678	Humans	Predicted (SEA)	57.0635
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	104.318
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	969.612
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	1204.41
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	2716.94
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P22770	Gallus gallus	Predicted (SEA)	7.55137
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	1326.71
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	O75762	Humans	Predicted (SEA)	43.2063
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	404.271
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	521.979
Click to view 3D structure	Nuclear factor erythroid 2-related factor 2	Q16236	Humans	Predicted (SEA)	41.7272
Click to view 3D structure	Tissue factor	P13726	Humans	Predicted (SEA)	73.0226
Click to view 3D structure	Glucose-6-phosphatase catalytic subunit 1	P35575	Humans	Predicted (SEA)	2.72472
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	18.061