2-ethoxyethyl(trimethyl)azanium (CED0312224)

Record Information

Version

1.0

Creation Date

2026-09-01 11:13:53 UTC

Update Date

2026-09-01 11:13:53 UTC

SynCED ID

CED0312224

Secondary Accession Numbers

CHEM358021

Identification

Common Name

2-ethoxyethyl(trimethyl)azanium

Class

Small Molecule

Description

2-ethoxyethyl(trimethyl)azanium is a chemical compound with the formula C7H18NO+. It has an average molecular weight of 132.22 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₈NO+

Average Molecular Mass

Not Available

Monoisotopic Mass

132.139 g/mol

CAS Registry Number

4358-14-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOCC[N+](C)(C)C

InChI Identifier

InChI=1S/C7H18NO/c1-5-9-7-6-8(2,3)4/h5-7H2,1-4H3/q+1

InChI Key

PLLVTSBBBKLRSO-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
1291.0 Log mg/kg [730:2300]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
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	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
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	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
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	PubChem
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	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.4 Statistical Significance 0.0221 Supporting Reference Compounds 385 E-value 171.969
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.4 Statistical Significance 0.015 Supporting Reference Compounds 310 E-value 116.852
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.4 Statistical Significance 0.0153 Supporting Reference Compounds 266 E-value 118.954
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.4 Statistical Significance 0.0484 Supporting Reference Compounds 297 E-value 377.024
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.4 Statistical Significance 0.0734 Supporting Reference Compounds 373 E-value 571.102
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.385 Statistical Significance 0.1829 Supporting Reference Compounds 128 E-value 1424.25
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.37 Statistical Significance 0.1136 Supporting Reference Compounds 58 E-value 884.211
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 11.9109
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P22770	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.011 Supporting Reference Compounds 1 E-value 85.5563
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 1 E-value 12.0666
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.35 Statistical Significance 0.7449 Supporting Reference Compounds 406 E-value 5798.75
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.37 Statistical Significance 0.4055 Supporting Reference Compounds 109 E-value 3157.18
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.37 Statistical Significance 0.2966 Supporting Reference Compounds 98 E-value 2309.01
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.35 Statistical Significance 0.8402 Supporting Reference Compounds 294 E-value 6541.28
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.4 Statistical Significance 0.5582 Supporting Reference Compounds 77 E-value 4345.47
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	B7UJP3	Escherichia coli O127:H6 (strain E2348/69 / EPEC)	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.182 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 2 E-value 22.187
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.37 Statistical Significance 0.4252 Supporting Reference Compounds 38 E-value 3309.84
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.37 Statistical Significance 0.4294 Supporting Reference Compounds 55 E-value 3342.53
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.255 Low confidence Statistical Significance 0.9713 Supporting Reference Compounds 823 E-value 7561.18
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.255 Low confidence Statistical Significance 0.9553 Supporting Reference Compounds 487 E-value 7437.01
Click to view 3D structure	Phospholipase C	P09598	Bacillus cereus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0765 Supporting Reference Compounds 1 E-value 595.702
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.255 Low confidence Statistical Significance 0.9433 Supporting Reference Compounds 340 E-value 7343.75
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.385 Statistical Significance 0.7145 Supporting Reference Compounds 75 E-value 5562.09
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.189 Low confidence Statistical Significance 0.989 Supporting Reference Compounds 825 E-value 7699.68
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.189 Low confidence Statistical Significance 0.9848 Supporting Reference Compounds 793 E-value 7666.9