(2,3-dimethylphenyl)urea (CED0069640)

Record Information

Version

1.0

Creation Date

2026-08-25 10:32:58 UTC

Update Date

2026-08-25 10:32:58 UTC

SynCED ID

CED0069640

Secondary Accession Numbers

CHEM263385

Identification

Common Name

(2,3-dimethylphenyl)urea

Class

Small Molecule

Description

(2,3-dimethylphenyl)urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H12N2O and an average molecular weight of 164.20 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₁₂N₂O

Average Molecular Mass

164.200 g/mol

Monoisotopic Mass

164.095 g/mol

CAS Registry Number

13114-75-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)

InChI Key

FZAKKMJTXLAJEQ-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
955.0 Log mg/kg [540:1700]	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
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
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
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	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

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	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.472 Statistical Significance 0.0052 Supporting Reference Compounds 201 E-value 40.793
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.319 Applicability Domain 0.333 Statistical Significance 0.0087 Supporting Reference Compounds 127 E-value 67.4174
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.5 Statistical Significance 0.047 Supporting Reference Compounds 562 E-value 365.658
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 0.006 Supporting Reference Compounds 106 E-value 46.6317
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.3 Applicability Domain 0.472 Statistical Significance 0.0062 Supporting Reference Compounds 57 E-value 48.3444
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.333 Statistical Significance 0.0045 Supporting Reference Compounds 82 E-value 34.9543
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.472 Statistical Significance 0.0088 Supporting Reference Compounds 40 E-value 68.8187
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.5 Statistical Significance 0.0563 Supporting Reference Compounds 229 E-value 438.213
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.472 Statistical Significance 0.0222 Supporting Reference Compounds 136 E-value 173.137
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.333 Statistical Significance 0.0305 Supporting Reference Compounds 89 E-value 237.674
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.472 Statistical Significance 0.0111 Supporting Reference Compounds 49 E-value 86.2569
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.333 Statistical Significance 0.0688 Supporting Reference Compounds 192 E-value 535.836
Click to view 3D structure	Aldo-keto reductase family 1 member C1	Q04828	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.472 Statistical Significance 0.0097 Supporting Reference Compounds 29 E-value 75.7473
Click to view 3D structure	Glutamate receptor ionotropic, NMDA 2B	Q13224	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.5 Statistical Significance 0.0212 Supporting Reference Compounds 54 E-value 164.807
Click to view 3D structure	Sigma intracellular receptor 2	Q5U3Y7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.5 Statistical Significance 0.0634 Supporting Reference Compounds 110 E-value 493.253
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.5 Statistical Significance 0.0755 Supporting Reference Compounds 207 E-value 587.606
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.5 Statistical Significance 0.0391 Supporting Reference Compounds 109 E-value 304.079
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.286 Low confidence Statistical Significance 0.1479 Supporting Reference Compounds 376 E-value 1151.62
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.286 Low confidence Statistical Significance 0.1769 Supporting Reference Compounds 487 E-value 1377.31
Click to view 3D structure	Transthyretin	P02766	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.31 Statistical Significance 0.0159 Supporting Reference Compounds 55 E-value 123.625
Click to view 3D structure	Nicotinate phosphoribosyltransferase	Q6XQN6	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.472 Statistical Significance 0.0044 Supporting Reference Compounds 12 E-value 34.0201
Click to view 3D structure	Chloride intracellular channel protein 1	O00299	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.245 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 1 E-value 23.0434
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.323 Statistical Significance 0.1927 Supporting Reference Compounds 451 E-value 1500.08
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.323 Statistical Significance 0.5496 Supporting Reference Compounds 1130 E-value 4278.52
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.5 Statistical Significance 0.0315 Supporting Reference Compounds 98 E-value 244.992