(1-methylimidazol-2-yl)methanamine (CED0178026)

Record Information
Version1.0
Creation Date2026-08-23 02:39:26 UTC
Update Date2026-08-23 02:39:26 UTC
SynCED IDCED0178026
Secondary Accession Numbers
  • CHEM226006
Identification
Common Name(1-methylimidazol-2-yl)methanamine
ClassSmall Molecule
Description
(1-methylimidazol-2-yl)methanamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C5H9N3 and an average molecular weight of 111.15 g/mol. It is further classified as an organic nitrogen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H9N3
Average Molecular Mass111.150 g/mol
Monoisotopic Mass111.080 g/mol
CAS Registry Number124312-73-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3
InChI KeyPZSMLGOAJXSDMK-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
254.0 Log mg/kg [140:450]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
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureHistamine H3 receptorQ9JI35Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.235 Low confidence
Statistical Significance
0.1594
Supporting Reference Compounds
56
E-value
1240.92
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.205 Low confidence
Statistical Significance
0.0726
Supporting Reference Compounds
68
E-value
565.497
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.209 Low confidence
Statistical Significance
0.9104
Supporting Reference Compounds
825
E-value
7087.24
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.209 Low confidence
Statistical Significance
0.933
Supporting Reference Compounds
1130
E-value
7263.49
Diamine oxidase [copper-containing] structureClick to view 3D structureDiamine oxidase [copper-containing]P19801HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.225 Low confidence
Statistical Significance
0.0022
Supporting Reference Compounds
11
E-value
17.4382
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.22 Low confidence
Statistical Significance
0.3873
Supporting Reference Compounds
221
E-value
3015.1
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.205 Low confidence
Statistical Significance
0.5065
Supporting Reference Compounds
150
E-value
3943.22
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.205 Low confidence
Statistical Significance
0.0399
Supporting Reference Compounds
31
E-value
310.852
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.209 Low confidence
Statistical Significance
0.9548
Supporting Reference Compounds
1245
E-value
7432.81
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.22 Low confidence
Statistical Significance
0.6812
Supporting Reference Compounds
303
E-value
5303.24
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.444
Statistical Significance
0.6166
Supporting Reference Compounds
1538
E-value
4800.03
Primary amine oxidase structureClick to view 3D structurePrimary amine oxidaseQ43077Pisum sativumPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.225 Low confidence
Statistical Significance
1.00e-03
Supporting Reference Compounds
1
E-value
7.78492
Alpha-1,2-mannosidase (BT_3965) structureClick to view 3D structureAlpha-1,2-mannosidase (BT_3965)Q8A0Q6Bacteroides thetaiotaomicronPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.225 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Alpha-1,2-mannosidase, putative (BT_3130) structureClick to view 3D structureAlpha-1,2-mannosidase, putative (BT_3130)Q8A325Bacteroides thetaiotaomicronPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.225 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Sphingosine-1-phosphate transporter SPNS2 structureClick to view 3D structureSphingosine-1-phosphate transporter SPNS2Q8IVW8HumansPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.224 Low confidence
Statistical Significance
0.0039
Supporting Reference Compounds
1
E-value
30.7504
DNA-3-methyladenine glycosylase 1 structureClick to view 3D structureDNA-3-methyladenine glycosylase 1P05100Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.22 Low confidence
Statistical Significance
6.70e-04
Supporting Reference Compounds
1
E-value
5.2159
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.235 Low confidence
Statistical Significance
0.3586
Supporting Reference Compounds
294
E-value
2791.6
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.235 Low confidence
Statistical Significance
0.2025
Supporting Reference Compounds
150
E-value
1576.76
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.235 Low confidence
Statistical Significance
0.4154
Supporting Reference Compounds
256
E-value
3233.62
Click to view 3D structureHistamine H4 receptorQ91ZY1Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.235 Low confidence
Statistical Significance
0.028
Supporting Reference Compounds
22
E-value
217.744
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.235 Low confidence
Statistical Significance
0.7071
Supporting Reference Compounds
507
E-value
5504.48
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.209 Low confidence
Statistical Significance
0.8816
Supporting Reference Compounds
793
E-value
6863.19
Click to view 3D structureLactoperoxidaseP22079HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.444
Statistical Significance
1.20e-04
Supporting Reference Compounds
4
E-value
0.934191
Click to view 3D structureHistamine H3 receptorQ9QYN8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.235 Low confidence
Statistical Significance
0.2477
Supporting Reference Compounds
80
E-value
1928.64
Click to view 3D structureAdenosine receptor A2aP46616Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0272
Supporting Reference Compounds
27
E-value
212.061
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available