[2-[methyl(prop-2-ynyl)amino]phenyl] n-methylcarbamate (CED0235881)

Record Information
Version1.0
Creation Date2026-08-27 19:35:27 UTC
Update Date2026-08-27 19:35:27 UTC
Accession NumberCHEM279874
Identification
Common Name[2-[methyl(prop-2-ynyl)amino]phenyl] n-methylcarbamate
ClassSmall Molecule
Description
[2-[methyl(prop-2-ynyl)amino]phenyl] n-methylcarbamate belongs to the phenyl methylcarbamates, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C12H14N2O2. The compound has an average molecular weight of 218.25 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H14N2O2
Average Molecular MassNot Available
Monoisotopic Mass218.106 g/mol
CAS Registry Number23504-07-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCNC(=O)OC1=CC=CC=C1N(C)CC#C
InChI IdentifierInChI=1S/C12H14N2O2/c1-4-9-14(3)10-7-5-6-8-11(10)16-12(15)13-2/h1,5-8H,9H2,2-3H3,(H,13,15)
InChI KeyGJYRCEALCUOYBO-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
610.0Log mg/kg[340:1100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
602MolluscicidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)1451.03
Click to view 3D structureAcetylcholinesteraseQ7YWJ9Musca domesticaPredicted (SEA)0.311397
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)545.723
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)1093.39
Click to view 3D structure3-ketoacyl-CoA synthase 20Q9FG87Arabidopsis thalianaPredicted (SEA)0.311397
Click to view 3D structureAcetylcholinesteraseK4JQ36Laodelphax striatellaPredicted (SEA)0.155698
Click to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)23.9776
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)33.3195
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)231.601
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)214.008
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)127.906
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)189.563
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)36.1999
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)112.959
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)275.82
Click to view 3D structureAce-orthologous acetylcholinesteraseQ9NJH6Nephotettix cincticepsPredicted (SEA)0.155698
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)343.86
Click to view 3D structureSigma intracellular receptor 2Q8VD00Mus musculusPredicted (SEA)5.2159
Click to view 3D structureAcetylcholinesteraseP23795Bos taurusPredicted (SEA)57.6863
Click to view 3D structureButyrylcholinesteraseQ9JKC1Rattus norvegicusPredicted (SEA)94.3533
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)1740.79
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1660.52
Histone deacetylase 2 structureClick to view 3D structureHistone deacetylase 2Q92769HumansPredicted (SEA)1094.17
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)541.831
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)560.125
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available