[3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium (CED0165803)

Record Information

Version

1.0

Creation Date

2026-04-05 13:42:55 UTC

Update Date

2026-04-13 21:04:30 UTC

Accession Number

CHEM103100

Identification

Common Name

[3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium

Class

Small Molecule

Description

[3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C17H36N2O2. It is identified as a lipid and lipid-like molecule. The compound has been found in or released from five recorded sources, which include indoor air via air, dust, and atmospheric transport, as well as soap dispensers within household cleaning and consumer products. Additionally, it is associated with building and construction materials, specifically fencing, stairs, and ramps, and food processing environments involving the processing of meats. The recorded route of exposure for this substance is inhalation. Regarding its biological activity, [3-(Dodecanoylamino)propyl](hydroxy)dimethylammonium has one recorded protein target, which is ADP/ATP translocase 1 (SLC25A4).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₇H₃₆N₂O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

300.278 g/mol

CAS Registry Number

61792-31-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)

InChI Key

JNGWKQJZIUZUPR-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-08fu-9550000000-6c32128b2ae87e728feb	Not Available	View Spectrum

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
2644.0	Log mg/kg	[1500:4700]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	Not Available
496	Fencing	Building & Construction	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	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	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	37.2898
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	53.5603
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	51.4583
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	16.2705
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	0.544945
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	133.745
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	9.41976
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	3.34752
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)	7.08428
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	331.015
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	416.96
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	31.1397
Click to view 3D structure	Phospholipase A2, membrane associated	P14555	Humans	Predicted (SEA)	96.533
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	293.414
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	917.609
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	50.8355
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	130.631
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	10.8989
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	270.526
Click to view 3D structure	Phospholipase A2, membrane associated	P31482	Mus musculus	Predicted (SEA)	37.9904
Click to view 3D structure	Phospholipase A2 group V	P39877	Humans	Predicted (SEA)	52.9375
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	692.78
Click to view 3D structure	Toll-like receptor 2	O60603	Humans	Predicted (SEA)	11.366
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	134.368