(1,1-Dipropylbutyl)ammonium chloride (CED0179839)

Record Information

Version

1.0

Creation Date

2026-04-05 02:07:16 UTC

Update Date

2026-08-18 03:19:57 UTC

SynCED ID

CED0179839

Secondary Accession Numbers

CHEM089306

Identification

Common Name

(1,1-Dipropylbutyl)ammonium chloride

Class

Small Molecule

Description

(1,1-Dipropylbutyl)ammonium chloride belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C10H23N and an average molecular weight of 193.76 g/mol. It has been identified in or released from one recorded source: Building & Construction (Stairs And Ramps).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₂₃N

Average Molecular Mass

193.760 g/mol

Monoisotopic Mass

157.183 g/mol

CAS Registry Number

61822-36-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Cl.CCCC(N)(CCC)CCC

InChI Identifier

InChI=1/C10H23N.ClH/c1-4-7-10(11,8-5-2)9-6-3;/h4-9,11H2,1-3H3;1H

InChI Key

ZDHVFXADPHSDRI-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
663.0 Log mg/kg [370:1200]	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
CEDs000500	Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.	Building & Construction	PubChem
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
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
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
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.273 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 2 E-value 11.2881
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.207 Low confidence Statistical Significance 0.0279 Supporting Reference Compounds 22 E-value 216.966
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.207 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 14 E-value 58.9319
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.207 Low confidence Statistical Significance 0.0148 Supporting Reference Compounds 15 E-value 115.606
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 1 E-value 22.4206
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.174 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.744
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 1 E-value 46.7095
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.273 Low confidence Statistical Significance 0.7265 Supporting Reference Compounds 59 E-value 5655.43
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.172 Low confidence Statistical Significance 0.0107 Supporting Reference Compounds 2 E-value 83.3765
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.172 Low confidence Statistical Significance 0.422 Supporting Reference Compounds 55 E-value 3285.31
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.172 Low confidence Statistical Significance 0.4122 Supporting Reference Compounds 40 E-value 3209.02
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.172 Low confidence Statistical Significance 0.8799 Supporting Reference Compounds 106 E-value 6849.95
Click to view 3D structure	Guanine nucleotide-binding protein G(o) subunit alpha	P09471	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.167 Low confidence Statistical Significance 0.02 Supporting Reference Compounds 2 E-value 155.698
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.172 Low confidence Statistical Significance 0.209 Supporting Reference Compounds 20 E-value 1626.82
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.172 Low confidence Statistical Significance 0.0125 Supporting Reference Compounds 4 E-value 97.4672
Click to view 3D structure	Sphingosine 1-phosphate receptor 2	O95136	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.273 Low confidence Statistical Significance 0.8557 Supporting Reference Compounds 79 E-value 6661.71
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.152 Low confidence Statistical Significance 0.0144 Supporting Reference Compounds 2 E-value 112.181
Click to view 3D structure	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.148 Low confidence Statistical Significance 0.0121 Supporting Reference Compounds 1 E-value 94.3533
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.273 Low confidence Statistical Significance 0.9216 Supporting Reference Compounds 117 E-value 7174.9
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.273 Low confidence Statistical Significance 0.9585 Supporting Reference Compounds 126 E-value 7461.85
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.147 Low confidence Statistical Significance 0.0137 Supporting Reference Compounds 6 E-value 106.576
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.172 Low confidence Statistical Significance 0.9728 Supporting Reference Compounds 407 E-value 7573.33
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.172 Low confidence Statistical Significance 0.9713 Supporting Reference Compounds 372 E-value 7561.88
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.154 Low confidence Statistical Significance 0.9349 Supporting Reference Compounds 127 E-value 7277.97
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.161 Low confidence Statistical Significance 0.8786 Supporting Reference Compounds 83 E-value 6839.91