1-(Dodecylamino)propan-2-ol (CED0161494)

Record Information
Version1.0
Creation Date2026-04-05 03:21:34 UTC
Update Date2026-04-05 03:21:34 UTC
SynCED IDCED0161494
Secondary Accession Numbers
  • CHEM091315
Identification
Common Name1-(Dodecylamino)propan-2-ol
ClassSmall Molecule
Description
1-(Dodecylamino)propan-2-ol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C15H33NO and an average molecular weight of 243.44 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H33NO
Average Molecular Mass243.435 g/mol
Monoisotopic Mass243.256 g/mol
CAS Registry Number41063-39-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCNCC(C)O
InChI IdentifierInChI=1/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17/h15-17H,3-14H2,1-2H3
InChI KeyQZOMSYGNYBDMCH-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
6622.0 Log mg/kg [3700:12000]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
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsPubChem
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
0.429
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Click to view 3D structureFarnesyl diphosphate synthaseQ197X6Toxoplasma gondiiPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.548
Statistical Significance
9.00e-05
Supporting Reference Compounds
4
E-value
0.700643
Click to view 3D structureFarnesyl synthetase, putativeQ964Q8Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.548
Statistical Significance
8.00e-05
Supporting Reference Compounds
2
E-value
0.622794
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.313
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.406
Statistical Significance
3.60e-04
Supporting Reference Compounds
14
E-value
2.80257
Farnesyl diphosphate synthase structureClick to view 3D structureFarnesyl diphosphate synthaseQ8WS26Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.548
Statistical Significance
1.10e-04
Supporting Reference Compounds
5
E-value
0.856341
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.344
Statistical Significance
0.013
Supporting Reference Compounds
127
E-value
100.97
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.314
Statistical Significance
0.0023
Supporting Reference Compounds
21
E-value
17.9053
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0026
Supporting Reference Compounds
1
E-value
20.3186
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.344
Statistical Significance
0.0076
Supporting Reference Compounds
83
E-value
59.5547
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.333
Statistical Significance
0.0123
Supporting Reference Compounds
89
E-value
95.5988
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.406
Statistical Significance
6.00e-04
Supporting Reference Compounds
15
E-value
4.67095
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.375
Statistical Significance
7.80e-04
Supporting Reference Compounds
22
E-value
6.07224
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.3
Statistical Significance
0.0197
Supporting Reference Compounds
197
E-value
153.441
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.314
Statistical Significance
0.0356
Supporting Reference Compounds
200
E-value
277.455
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.314
Statistical Significance
0.0325
Supporting Reference Compounds
175
E-value
252.932
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
2.80e-04
Supporting Reference Compounds
1
E-value
2.17978
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.31
Statistical Significance
0.0048
Supporting Reference Compounds
42
E-value
37.5233
Click to view 3D structureGroup VII phospholipase A2Q6UB75Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.324
Statistical Significance
6.00e-04
Supporting Reference Compounds
7
E-value
4.67095
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.324
Statistical Significance
0.0045
Supporting Reference Compounds
49
E-value
35.2657
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.349
Statistical Significance
0.0991
Supporting Reference Compounds
506
E-value
771.875
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.314
Statistical Significance
0.0257
Supporting Reference Compounds
102
E-value
199.995
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.3
Statistical Significance
0.0018
Supporting Reference Compounds
15
E-value
14.3243
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available