1-n-dodecylpropane-1,2-diamine (CED0250597)

Record Information
Version1.0
Creation Date2026-08-28 15:46:23 UTC
Update Date2026-08-28 15:46:23 UTC
SynCED IDCED0250597
Secondary Accession Numbers
  • CHEM295173
Identification
Common Name1-n-dodecylpropane-1,2-diamine
ClassSmall Molecule
Description
1-n-dodecylpropane-1,2-diamine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C15H34N2 and an average molecular weight of 242.44 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H34N2
Average Molecular MassNot Available
Monoisotopic Mass242.272 g/mol
CAS Registry Number30677-46-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCNCC(C)N
InChI IdentifierInChI=1S/C15H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h15,17H,3-14,16H2,1-2H3
InChI KeyDBBZOURVEFUJEW-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 ValuesNot 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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquacultureNot Available
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquacultureNot Available
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
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 processingNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsNot Available
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
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
0.345
Applicability Domain
0.5
Statistical Significance
1.00e-04
Supporting Reference Compounds
4
E-value
0.778492
Click to view 3D structureFarnesyl synthetase, putativeQ964Q8Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
2
E-value
0.934191
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
1
E-value
4.5931
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.344
Statistical Significance
0.0097
Supporting Reference Compounds
83
E-value
75.2802
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.364
Statistical Significance
6.90e-04
Supporting Reference Compounds
14
E-value
5.3716
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.344
Statistical Significance
0.0352
Supporting Reference Compounds
127
E-value
274.107
Farnesyl diphosphate synthase structureClick to view 3D structureFarnesyl diphosphate synthaseQ8WS26Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.5
Statistical Significance
2.10e-04
Supporting Reference Compounds
5
E-value
1.63483
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
0.264
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0039
Supporting Reference Compounds
21
E-value
30.2055
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0587
Supporting Reference Compounds
242
E-value
457.053
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0447
Supporting Reference Compounds
172
E-value
347.908
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0429
Supporting Reference Compounds
193
E-value
334.129
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
0.257
Applicability Domain
0.257 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.4438
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0076
Supporting Reference Compounds
42
E-value
59.4768
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0432
Supporting Reference Compounds
89
E-value
336.62
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0879
Supporting Reference Compounds
200
E-value
684.45
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.364
Statistical Significance
0.0012
Supporting Reference Compounds
15
E-value
9.57545
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0595
Supporting Reference Compounds
126
E-value
463.281
Sphingosine 1-phosphate receptor 2 structureClick to view 3D structureSphingosine 1-phosphate receptor 2O95136HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0233
Supporting Reference Compounds
79
E-value
181.778
Sphingosine 1-phosphate receptor 3 structureClick to view 3D structureSphingosine 1-phosphate receptor 3Q99500HumansPredicted (SEA)
Prediction Confidence Score
0.249
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0234
Supporting Reference Compounds
59
E-value
181.934
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0475
Supporting Reference Compounds
151
E-value
369.628
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0493
Supporting Reference Compounds
157
E-value
383.875
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0673
Supporting Reference Compounds
165
E-value
524.081
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.333
Statistical Significance
0.0022
Supporting Reference Compounds
22
E-value
17.049
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available