Monolinuron (CED0018346)

Record Information

Version

1.0

Creation Date

2016-05-19 02:43:19 UTC

Update Date

2026-08-25 08:33:57 UTC

Accession Number

CHEM008305

Identification

Common Name

Monolinuron

Class

Small Molecule

Description

Monolinuron is an organic compound with the chemical formula C9H11ClN2O2 and an average molecular weight of 214.65 g/mol. Monolinuron belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. The compound is found in or released from 29 recorded sources. Within the category of electrical and electronic equipment, these sources include antennas, amplifiers, colour television systems, auxiliary devices, adjustable resistors, and 18 additional items. In the building and construction sector, it is associated with roofs, floors, fencing, and ceilings. Additionally, monolinuron is found in soap detergents among household cleaning and consumer products, as well as in drinking water and water supply. The recorded exposure route for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Monolinuron	MeSH
3-(4-Chlorophenyl)-1-methoxy-1-methylurea	MeSH

Chemical Formula

C₉H₁₁ClN₂O₂

Average Molecular Mass

214.650 g/mol

Monoisotopic Mass

214.051 g/mol

CAS Registry Number

1746-81-2

IUPAC Name

1-(4-chlorophenyl)-3-methoxy-3-methylurea

Traditional Name

monolinuron

SMILES

CON(C)C(=O)NC1=CC=C(Cl)C=C1

InChI Identifier

InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChI Key

LKJPSUCKSLORMF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

N-phenylureas

Direct Parent

N-phenylureas

Alternative Parents

Substituents

N-phenylurea
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Carbonic acid derivative
Organic nitrogen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

ureas (CHEBI:81965 )
Phenylurea herbicides (C18794 )

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

Property	Value	Source
Water Solubility	0.44 g/L	ALOGPS
logP	1.99	ALOGPS
logP	2.08	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	12.12	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.57 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	55.55 m³·mol⁻¹	ChemAxon
Polarizability	21.11 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0udi-2900000000-95820fc8589cebee2f60	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-2900000000-af60eab21c36aea921f7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-1900000000-f9dea6f2502713c78dc7	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-6900000000-1292a369b34ae4c6e25c	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-1900000000-e1b5cd3057e69f847a88	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-016s-1950000000-61fae4c16f95600a8c5a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-1910000000-d5101b9eef3c52e3e387	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-002b-9700000000-15018408205723cf89b2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004j-5900000000-c9a8279fb2f30a345f7b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-2390000000-5f55e74c5275553537b4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9610000000-9e1a296adff16d1f9de3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-8900000000-1efe055549bfe0b4080f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-2290000000-fdea4ad310917dde781f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01q9-1920000000-1da1e3e7b29fb3d71e8f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fb9-9700000000-f44c2ea94a7c7086f0f4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02t9-7390000000-7ea27a3ae85b9f1dd033	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-1900000000-b4d42784341f1fb43074	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004j-5900000000-56b84c69e285d9ec2e0c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0900000000-bd5b1bbc2eeffad2ef54	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0ugi-5900000000-ab1ba0e79924bea66295	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0059-9800000000-c66f36d627f46dff9137	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
1277.0	Log mg/kg	[720:2300]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	Not Available
233	Brushes	Personal care & cosmetics	Not Available
495	Ceilings	Building & Construction	Not Available
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
509	Colour Television Systems	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
512	Contacts	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
523	Gas Filled Discharge Tubes With Solid Cathode	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
528	Microphones	Electrical & Electronic Equipment	Not Available
529	Power Cables	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
537	Television Systems	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
589	Life Buoys	Marine, shipping & aquaculture	Not Available
592	Marine Propulsion Or Steering	Marine, shipping & aquaculture	Not Available
596	Acaricides	Agriculture & land management	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
658	Touch Fasteners	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	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	Photosystem II protein D1	P06402	Marchantia polymorpha	Predicted (SEA)	0.0778492
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	31.5289
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 1	Q2TV84	Mus musculus	Predicted (SEA)	6.46149
Click to view 3D structure	Photosystem II protein D1	P69560	Spinacia oleracea	Predicted (SEA)	0.155698
Click to view 3D structure	Methionine--tRNA ligase	A0A3N3ZFK4	Enterococcus faecalis	Predicted (SEA)	1.47914
Click to view 3D structure	Methionine--tRNA ligase	P67578	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	1.47914
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	565.185
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	859.767
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	77.2264
Click to view 3D structure	MAP kinase-activated protein kinase 2	P49137	Humans	Predicted (SEA)	476.671
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	83.2987
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	273.017
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	613.14
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	846.532
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	761.521
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	507.733
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	242.345
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	745.173
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	681.881
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	748.987
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	581.923
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	857.665
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	663.742
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	595.235
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 3	O43781	Humans	Predicted (SEA)	316.068