[[2-(Hydroxymethyl)-5-furyl]methyl]ammonium chloride (CED0075786)

Record Information
Version1.0
Creation Date2026-04-05 05:46:50 UTC
Update Date2026-08-23 16:20:13 UTC
Accession NumberCHEM093950
Identification
Common Name[[2-(Hydroxymethyl)-5-furyl]methyl]ammonium chloride
ClassSmall Molecule
Description
[[2-(Hydroxymethyl)-5-furyl]methyl]ammonium chloride belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound has the chemical formula C6H9NO2 and an average molecular weight of 191.66 g/mol. It is further classified as an organic nitrogen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H9NO2
Average Molecular Mass191.660 g/mol
Monoisotopic Mass127.063 g/mol
CAS Registry Number88910-22-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCl.CN(C)CC1=CC=C(CO)O1
InChI IdentifierInChI=1/C6H9NO2.ClH/c7-3-5-1-2-6(4-8)9-5;/h1-2,8H,3-4,7H2;1H
InChI KeyOVDIFUWDEAVLJT-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)162.938
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)864.36
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)1096.74
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)662.419
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)2217.61
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)3365.03
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)2912.96
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)2246.18
Click to view 3D structureMuscarinic acetylcholine receptor M2Q9ERZ4Mus musculusPredicted (SEA)0.778492
Click to view 3D structureHistamine H2 receptorP47747Cavia porcellusPredicted (SEA)324.086
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)5166.15
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)4343.91
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)255.501
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7011.02
Cytochrome P450 2E1 structureClick to view 3D structureCytochrome P450 2E1P05181HumansPredicted (SEA)123.002
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)6458.22
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)6395.86
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)6854.55
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)2300.52
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)5170.04
Click to view 3D structureZinc finger protein mex-5Q9XUB2Caenorhabditis elegansPredicted (SEA)772.342
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)3411.74
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)105.096
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)87.0354
Click to view 3D structureMuscarinic acetylcholine receptor M1P12657Mus musculusPredicted (SEA)0.934191
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available