3-Chloropropionamide (CED0037388)

Record Information

Version

1.0

Creation Date

2026-04-04 20:58:58 UTC

Update Date

2026-08-22 13:17:27 UTC

SynCED ID

CED0037388

Secondary Accession Numbers

CHEM081766

Identification

Common Name

3-Chloropropionamide

Class

Small Molecule

Description

3-Chloropropionamide belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C3H6ClNO and an average molecular weight of 107.54 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₆ClNO

Average Molecular Mass

107.540 g/mol

Monoisotopic Mass

107.014 g/mol

CAS Registry Number

5875-24-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(=N)CCCl

InChI Identifier

InChI=1/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)

InChI Key

JQDXZJYAUSVHDH-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	splash10-006x-9100000000-471c165aa2db63e47fbd	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-5900000000-12b8de4e9c648beb2ee3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-9100000000-2fad0086b5c0ddf2b002	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-16dcf3427aeeb5797662	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-c2fa753da65a4bac80a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-c2fa753da65a4bac80a1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9000000000-c2fa753da65a4bac80a1	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
239.0 Log mg/kg [130:420]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	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
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000644	Hook Or Eye Fasteners?Hook or eye fasteners are commonly used in various applications, including clothing and upholstery, to secure fabric and enhance functionality.	Textiles, leather & furnishings	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	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
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	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Putative agmatine deiminase	Q8DW17	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.214 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 1 E-value 4.67095
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 12.923
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 1 E-value 43.7513
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.222 Low confidence Statistical Significance 0.7583 Supporting Reference Compounds 41 E-value 5903.15
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.161 Low confidence Statistical Significance 0.6663 Supporting Reference Compounds 47 E-value 5187.33
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.16 Low confidence Statistical Significance 0.7131 Supporting Reference Compounds 35 E-value 5551.74
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.16 Low confidence Statistical Significance 0.4192 Supporting Reference Compounds 14 E-value 3263.44
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.154 Low confidence Statistical Significance 0.9289 Supporting Reference Compounds 197 E-value 7231.73
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.154 Low confidence Statistical Significance 0.9413 Supporting Reference Compounds 127 E-value 7327.79
Click to view 3D structure	Nitric oxide synthase, inducible	P29477	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.161 Low confidence Statistical Significance 0.7872 Supporting Reference Compounds 47 E-value 6128.37
Click to view 3D structure	Deoxyhypusine synthase	Q9GSW0	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.138 Low confidence Statistical Significance 0.014 Supporting Reference Compounds 1 E-value 109.222
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.138 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.6236
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.154 Low confidence Statistical Significance 0.9537 Supporting Reference Compounds 89 E-value 7424.17
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.174 Low confidence Statistical Significance 0.0556 Supporting Reference Compounds 9 E-value 432.842
Click to view 3D structure	Methionine--tRNA ligase	A0A3N3ZFK4	Enterococcus faecalis	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.135 Low confidence Statistical Significance 0.0968 Supporting Reference Compounds 2 E-value 753.892
Click to view 3D structure	Methionine--tRNA ligase	P67578	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.135 Low confidence Statistical Significance 0.0968 Supporting Reference Compounds 2 E-value 753.892
Click to view 3D structure	N-acetylaspartylglutamate synthase A	Q8IXN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0359 Supporting Reference Compounds 1 E-value 279.712
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.154 Low confidence Statistical Significance 0.9826 Supporting Reference Compounds 149 E-value 7649.15
Click to view 3D structure	Succinate receptor 1	Q99MT6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.222 Low confidence Statistical Significance 0.0635 Supporting Reference Compounds 2 E-value 494.654
Click to view 3D structure	Nitric oxide synthase 1	P29476	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.15 Low confidence Statistical Significance 0.8511 Supporting Reference Compounds 49 E-value 6625.67
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.154 Low confidence Statistical Significance 0.991 Supporting Reference Compounds 192 E-value 7714.62
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.154 Low confidence Statistical Significance 0.2281 Supporting Reference Compounds 21 E-value 1776.13
Click to view 3D structure	Large neutral amino acids transporter small subunit 1	Q63016	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.128 Applicability Domain 0.128 Low confidence Statistical Significance 0.2297 Supporting Reference Compounds 1 E-value 1788.51
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.16 Low confidence Statistical Significance 0.9319 Supporting Reference Compounds 45 E-value 7255.0
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.147 Low confidence Statistical Significance 0.9915 Supporting Reference Compounds 296 E-value 7718.59