1-Pentanamine, N-butyl- (CED0177314)

Record Information

Version

1.0

Creation Date

2026-04-04 00:17:36 UTC

Update Date

2026-08-25 16:01:23 UTC

SynCED ID

CED0177314

Secondary Accession Numbers

CHEM069589

Identification

Common Name

1-Pentanamine, N-butyl-

Class

Small Molecule

Description

1-Pentanamine, N-butyl- is an organic nitrogen compound with the chemical formula C9H21N1 and an average molecular weight of 143.27 g/mol. 1-Pentanamine, N-butyl- belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This substance has been identified in or released from three recorded sources, specifically electrical and electronic equipment including thin magnetic films, radio transmission systems, and adjustable resistors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₂₁N₁

Average Molecular Mass

143.274 g/mol

Monoisotopic Mass

143.167 g/mol

CAS Registry Number

39536-61-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCNCCCC

InChI Identifier

InChI=1S/C9H21N/c1-3-5-7-9-10-8-6-4-2/h10H,3-9H2,1-2H3

InChI Key

AMJIVVJFADZSNZ-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
247.0 Log mg/kg [140:440]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000504	Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.	Electrical & Electronic Equipment	Not Available
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	Not Available
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	Not Available
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	Not Available
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	Not Available
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	Not Available
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
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	Not Available
CEDs000703	Blackboards?Blackboards, traditionally made from slate or coated wood, can also be produced using synthetic materials that may contain various chemicals.	Paper, pulp & fiber products	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	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	All-trans-retinol dehydrogenase [NAD(+)] ADH7	P40394	Humans	Predicted (SEA)	Prediction Confidence Score 0.524 Applicability Domain 0.524 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.421 Statistical Significance 0.0079 Supporting Reference Compounds 242 E-value 61.7344
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.421 Statistical Significance 0.0056 Supporting Reference Compounds 172 E-value 43.7513
Click to view 3D structure	Phospholipase B	Q9P8P2	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 5.00e-05 Supporting Reference Compounds 1 E-value 0.389246
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.421 Statistical Significance 0.0086 Supporting Reference Compounds 193 E-value 67.3396
Click to view 3D structure	Farnesyl diphosphate synthase	Q197X6	Toxoplasma gondii	Predicted (SEA)	Prediction Confidence Score 0.324 Applicability Domain 0.429 Statistical Significance 1.10e-04 Supporting Reference Compounds 4 E-value 0.856341
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.421 Statistical Significance 0.01 Supporting Reference Compounds 151 E-value 77.8492
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.421 Statistical Significance 0.0108 Supporting Reference Compounds 157 E-value 83.9215
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.421 Statistical Significance 0.0138 Supporting Reference Compounds 165 E-value 107.121
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.4 Statistical Significance 0.0117 Supporting Reference Compounds 127 E-value 90.85
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.4 Statistical Significance 0.0066 Supporting Reference Compounds 83 E-value 51.3805
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.385 Statistical Significance 4.70e-04 Supporting Reference Compounds 14 E-value 3.65891
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.409 Statistical Significance 0.043 Supporting Reference Compounds 407 E-value 335.063
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.31 Statistical Significance 0.0026 Supporting Reference Compounds 21 E-value 20.0851
Click to view 3D structure	Peroxisomal N(1)-acetyl-spermine/spermidine oxidase	Q8C0L6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.286 Low confidence Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.385 Statistical Significance 9.70e-04 Supporting Reference Compounds 22 E-value 7.55137
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.292 Low confidence Statistical Significance 0.0293 Supporting Reference Compounds 197 E-value 228.332
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.37 Statistical Significance 8.40e-04 Supporting Reference Compounds 15 E-value 6.53933
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.31 Statistical Significance 0.0269 Supporting Reference Compounds 102 E-value 209.181
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.4 Statistical Significance 0.0822 Supporting Reference Compounds 372 E-value 639.687
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.273 Low confidence Statistical Significance 0.0782 Supporting Reference Compounds 373 E-value 609.17
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.31 Statistical Significance 0.0576 Supporting Reference Compounds 200 E-value 448.645
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.292 Low confidence Statistical Significance 0.0292 Supporting Reference Compounds 89 E-value 227.475
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.259 Low confidence Statistical Significance 3.40e-04 Supporting Reference Compounds 1 E-value 2.64687
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.273 Low confidence Statistical Significance 0.1321 Supporting Reference Compounds 406 E-value 1028.31