(±)-7-[[(4-Fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid (CED0088446)

Record Information
Version1.0
Creation Date2026-04-05 02:35:17 UTC
Update Date2026-04-05 02:35:17 UTC
Accession NumberCHEM090137
Identification
Common Name(±)-7-[[(4-Fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid
ClassSmall Molecule
Description
(±)-7-[[(4-Fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid is an organic compound with the chemical formula C17H26FNO2 and an average molecular weight of 295.40 g/mol. (±)-7-[[(4-Fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This substance is found in or released from 10 recorded sources. These include various types of electrical and electronic equipment, specifically antennas, coils, cores yokes or armatures, discharge lamps, and electric switches, among three others. Additionally, it is associated with food, food processing and cookware, specifically in the treatment of hops. It is also found in household cleaning and consumer products, where it is linked to other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H26FNO2
Average Molecular Mass295.398 g/mol
Monoisotopic Mass295.195 g/mol
CAS Registry Number59209-97-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)C(CCCCCC(O)=O)NCC1=CC=C(F)C=C1
InChI IdentifierInChI=1/C17H26FNO2/c1-13(2)16(6-4-3-5-7-17(20)21)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,20,21)
InChI KeyYZYKBQUWMPUVEN-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
1594.0Log mg/kg[900:2800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
652RopesTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Lethal factor structureClick to view 3D structureLethal factorP15917Bacillus anthracisPredicted (SEA)2.88042
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)71.5434
Click to view 3D structureProteasome component C5P23724Saccharomyces cerevisiae S288cPredicted (SEA)46.5538
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)99.8806
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)128.062
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)1063.58
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)63.0579
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)698.697
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)1.08989
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)38.6911
Disks large homolog 4 structureClick to view 3D structureDisks large homolog 4P78352HumansPredicted (SEA)33.3973
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)78.8613
Click to view 3D structureNuclear receptor subfamily 4 group A member 2Q07917Rattus norvegicusPredicted (SEA)2.10193
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)62.6686
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)373.988
Prostaglandin E2 receptor EP3 subtype structureClick to view 3D structureProstaglandin E2 receptor EP3 subtypeP43115HumansPredicted (SEA)38.4575
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)260.172
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)187.305
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)821.776
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)34.4094
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP34995HumansPredicted (SEA)48.5779
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)27.6365
Thromboxane A2 receptor structureClick to view 3D structureThromboxane A2 receptorP21731HumansPredicted (SEA)52.0033
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)22.8877
Click to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH3Q9ULD8HumansPredicted (SEA)13.3122
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available