Methyl n-[3-(aminomethyl)phenyl]carbamate (CED0221584)

Record Information
Version1.0
Creation Date2026-08-25 10:38:13 UTC
Update Date2026-08-25 10:38:13 UTC
SynCED IDCED0221584
Secondary Accession Numbers
  • CHEM263462
Identification
Common NameMethyl n-[3-(aminomethyl)phenyl]carbamate
ClassSmall Molecule
Description
Methyl n-[3-(aminomethyl)phenyl]carbamate belongs to the phenylcarbamic acid esters, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H12N2O2 and an average molecular weight of 180.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H12N2O2
Average Molecular Mass180.200 g/mol
Monoisotopic Mass180.090 g/mol
CAS Registry Number918810-64-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H12N2O2/c1-13-9(12)11-8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3,(H,11,12)
InChI KeyNIGLBTSPLCLBKF-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
884.0 Log mg/kg [500:1600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.302
Statistical Significance
0.0058
Supporting Reference Compounds
63
E-value
45.3082
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.327
Statistical Significance
0.0479
Supporting Reference Compounds
195
E-value
372.586
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.327
Statistical Significance
0.037
Supporting Reference Compounds
151
E-value
288.431
Alanine--glyoxylate aminotransferase structureClick to view 3D structureAlanine--glyoxylate aminotransferaseP21549HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.286 Low confidence
Statistical Significance
5.50e-04
Supporting Reference Compounds
2
E-value
4.28171
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.327
Statistical Significance
0.0478
Supporting Reference Compounds
158
E-value
371.886
Click to view 3D structureTissue-type plasminogen activatorP11214Mus musculusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.265 Low confidence
Statistical Significance
8.10e-04
Supporting Reference Compounds
1
E-value
6.30579
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.289 Low confidence
Statistical Significance
0.1024
Supporting Reference Compounds
380
E-value
796.943
Click to view 3D structureHistone deacetylase 6Q99P97Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.259 Low confidence
Statistical Significance
0.0177
Supporting Reference Compounds
1
E-value
138.027
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.292 Low confidence
Statistical Significance
0.115
Supporting Reference Compounds
331
E-value
895.577
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.292 Low confidence
Statistical Significance
0.1007
Supporting Reference Compounds
284
E-value
783.786
Click to view 3D structureNonstructural protein 3A0A024AXB9Zika virusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.317
Statistical Significance
0.0057
Supporting Reference Compounds
24
E-value
44.5298
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0029
Supporting Reference Compounds
18
E-value
22.9655
Tryptase beta-2 structureClick to view 3D structureTryptase beta-2P20231HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.327
Statistical Significance
0.0042
Supporting Reference Compounds
2
E-value
33.0081
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0037
Supporting Reference Compounds
26
E-value
28.6485
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.268 Low confidence
Statistical Significance
0.5513
Supporting Reference Compounds
1538
E-value
4291.59
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.266 Low confidence
Statistical Significance
0.0441
Supporting Reference Compounds
74
E-value
343.471
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.268 Low confidence
Statistical Significance
0.5141
Supporting Reference Compounds
1245
E-value
4002.07
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0878
Supporting Reference Compounds
185
E-value
683.672
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0079
Supporting Reference Compounds
68
E-value
61.8123
Click to view 3D structureTrace amine-associated receptor 1Q8HZ64Macaca mulattaPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.302
Statistical Significance
0.0014
Supporting Reference Compounds
8
E-value
10.6653
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.256 Low confidence
Statistical Significance
0.4993
Supporting Reference Compounds
1130
E-value
3886.7
Click to view 3D structureTrace amine-associated receptor 1Q923Y9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0066
Supporting Reference Compounds
18
E-value
51.0691
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.289 Low confidence
Statistical Significance
0.0795
Supporting Reference Compounds
203
E-value
619.213
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0452
Supporting Reference Compounds
42
E-value
352.268
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.255 Low confidence
Statistical Significance
0.1528
Supporting Reference Compounds
332
E-value
1189.69
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available