8-(Butan-2-yl)quinoline (CED0182411)

Record Information
Version1.0
Creation Date2026-03-31 21:37:12 UTC
Update Date2026-08-19 00:03:59 UTC
Accession NumberCHEM058079
Identification
Common Name8-(Butan-2-yl)quinoline
ClassSmall Molecule
Description
8-(Butan-2-yl)quinoline is an organic compound with the formula C13H15N1 and an average molecular weight of 185.27 g/mol. 8-(Butan-2-yl)quinoline belongs to the quinolines and derivatives, a class of organoheterocyclic compounds within the organic compounds. Industrially, this substance is utilized as a fragrance.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H15N1
Average Molecular Mass185.270 g/mol
Monoisotopic Mass185.120 g/mol
CAS Registry Number67634-06-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)C1=C2N=CC=CC2=CC=C1
InChI IdentifierInChI=1S/C13H15N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3
InChI KeyUNHPNXMTAQYTRG-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
789.0Log mg/kg[440:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
490Personal care & cosmeticsNot Available
602MolluscicidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
C-C chemokine receptor type 8 structureClick to view 3D structureC-C chemokine receptor type 8P51685HumansPredicted (SEA)0.467095
C-C chemokine receptor type 1 structureClick to view 3D structureC-C chemokine receptor type 1P32246HumansPredicted (SEA)3.97031
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)8.09632
Ferroportin structureClick to view 3D structureFerroportinQ9NP59HumansPredicted (SEA)2.02408
Click to view 3D structureMitochondrial import inner membrane translocase subunit TIM23P32897Saccharomyces cerevisiae S288cPredicted (SEA)11.4438
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)76.6815
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)102.216
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)35.7328
Transcription factor p65 structureClick to view 3D structureTranscription factor p65Q04206HumansPredicted (SEA)6.22794
C-C chemokine receptor type 5 structureClick to view 3D structureC-C chemokine receptor type 5P51681HumansPredicted (SEA)21.4085
Click to view 3D structureBotulinum neurotoxin type AP0DPI0Clostridium botulinumPredicted (SEA)2.17978
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)409.176
Methionine aminopeptidase 2 structureClick to view 3D structureMethionine aminopeptidase 2P50579HumansPredicted (SEA)3.26967
NF-kappa-B inhibitor alpha structureClick to view 3D structureNF-kappa-B inhibitor alphaP25963HumansPredicted (SEA)1.08989
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2C7C422Klebsiella pneumoniaePredicted (SEA)6.69503
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)248.573
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)391.893
Lactoylglutathione lyase structureClick to view 3D structureLactoylglutathione lyaseQ04760HumansPredicted (SEA)13.7015
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)302.833
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)1145.63
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)244.447
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)969.923
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)1596.22
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1983.29
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)1791.0
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available