Guanidine, N-dodecyl-, hydrochloride (1:1) (CED0167680)

Record Information

Version

1.0

Creation Date

2026-04-05 15:42:35 UTC

Update Date

2026-04-16 22:49:22 UTC

Accession Number

CHEM104384

Identification

Common Name

Guanidine, N-dodecyl-, hydrochloride (1:1)

Class

Small Molecule

Description

Guanidine, N-dodecyl-, hydrochloride (1:1) belongs to the guanidines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the chemical formula C13H30ClN3 and an average molecular weight of 263.85 g/mol. The substance is found in or released from three recorded sources, including pesticides used in agriculture and land management, as well as household cleaning and consumer products such as soap dispensers and bleaching agents. Recorded exposure routes for this compound include oral and inhalation.

Contaminant Type

Pesticide

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₃₀ClN₃

Average Molecular Mass

263.850 g/mol

Monoisotopic Mass

263.213 g/mol

CAS Registry Number

13590-97-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Cl.CCCCCCCCCCCCNC(N)=N

InChI Identifier

InChI=1S/C13H29N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H4,14,15,16);1H

InChI Key

CGMKPKRNUNDACU-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

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
714.0	Log mg/kg	[400:1300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
7	Pesticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
564	Soap Dispensers	Household cleaning & consumer products	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	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
659	Transfer Printing	Textiles, leather & furnishings	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	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	0.0778492
Click to view 3D structure	Deoxyhypusine synthase	Q6AY53	Rattus norvegicus	Predicted (SEA)	0.0778492
Click to view 3D structure	Polyamine oxidase 1	O64411	Zea mays	Predicted (SEA)	0.0778492
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Deoxyhypusine synthase	P49366	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	0.0778492
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase	Q46822	Escherichia coli (strain K12)	Predicted (SEA)	0.155698
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	12.7673
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	38.1461
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	86.0234
Click to view 3D structure	Acid ceramidase	Q6P7S1	Rattus norvegicus	Predicted (SEA)	3.42537
Click to view 3D structure	Acidic phospholipase A2 CM-I	P00602	Naja mossambica	Predicted (SEA)	12.1445
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	65.7826
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	5.76084
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	147.135
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	3.73676
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	198.048
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	1.32344
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	108.678
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	188.084
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	2.41333
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	122.223
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	482.354
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	153.441
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	364.957