2,3-dihydroxypropyl(trimethyl)azanium (CED0310986)

Record Information

Version

1.0

Creation Date

2026-09-01 09:27:05 UTC

Update Date

2026-09-01 09:27:05 UTC

SynCED ID

CED0310986

Secondary Accession Numbers

CHEM356724

Identification

Common Name

2,3-dihydroxypropyl(trimethyl)azanium

Class

Small Molecule

Description

2,3-dihydroxypropyl(trimethyl)azanium is a chemical compound with the formula C6H16NO2+. 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

C₆H₁₆NO₂+

Average Molecular Mass

Not Available

Monoisotopic Mass

134.118 g/mol

CAS Registry Number

44814-66-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[N+](C)(C)CC(CO)O

InChI Identifier

InChI=1S/C6H16NO2/c1-7(2,3)4-6(9)5-8/h6,8-9H,4-5H2,1-3H3/q+1

InChI Key

SVMYVYPFRUNJLY-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
2235.0 Log mg/kg [1300:4000]	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
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	Not Available
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	Not Available
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	Not Available
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	Not Available
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000669	PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.	Fire suppression systems & agents	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
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.225 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.0787
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.333 Statistical Significance 0.437 Supporting Reference Compounds 373 E-value 3401.78
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.333 Statistical Significance 0.3506 Supporting Reference Compounds 297 E-value 2729.24
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.321 Statistical Significance 0.0324 Supporting Reference Compounds 14 E-value 252.309
Click to view 3D structure	G protein-activated inward rectifier potassium channel 1	P48549	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.209 Low confidence Statistical Significance 0.0021 Supporting Reference Compounds 1 E-value 16.1148
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.207 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.6533
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0018 Supporting Reference Compounds 2 E-value 13.8572
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.333 Statistical Significance 0.3442 Supporting Reference Compounds 109 E-value 2679.8
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.333 Statistical Significance 0.2362 Supporting Reference Compounds 98 E-value 1838.72
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.333 Statistical Significance 0.158 Supporting Reference Compounds 38 E-value 1230.1
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.333 Statistical Significance 0.1799 Supporting Reference Compounds 55 E-value 1400.66
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.214 Low confidence Statistical Significance 0.7883 Supporting Reference Compounds 385 E-value 6136.85
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.214 Low confidence Statistical Significance 0.8157 Supporting Reference Compounds 310 E-value 6350.16
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.214 Low confidence Statistical Significance 0.8156 Supporting Reference Compounds 266 E-value 6349.3
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.185 Low confidence Statistical Significance 0.0071 Supporting Reference Compounds 21 E-value 55.5065
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.252
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.195 Low confidence Statistical Significance 0.0212 Supporting Reference Compounds 18 E-value 165.196
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.207 Low confidence Statistical Significance 0.9245 Supporting Reference Compounds 128 E-value 7197.0
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0157 Supporting Reference Compounds 1 E-value 122.223
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.182 Low confidence Statistical Significance 0.967 Supporting Reference Compounds 258 E-value 7528.25
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.182 Low confidence Statistical Significance 0.9912 Supporting Reference Compounds 1157 E-value 7716.57
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.149 Low confidence Statistical Significance 0.1683 Supporting Reference Compounds 1 E-value 1310.05
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.185 Low confidence Statistical Significance 0.1448 Supporting Reference Compounds 30 E-value 1127.41
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.162 Low confidence Statistical Significance 0.5959 Supporting Reference Compounds 48 E-value 4639.11
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.238 Low confidence Statistical Significance 0.8138 Supporting Reference Compounds 58 E-value 6335.6