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N,N-Dibutylethanolamine - 99%, high purity , CAS No.102-81-8
Basic Description
Synonyms
EINECS 203-057-1 | N-(2-HYDROXYETHYL)DIBUTYLAMINE | N,N-Dibutyl-2-hydroxyethylamine | NCGC00091656-01 | 2-(dibutylamino) ethanol | Q20963640 | SMR001371991 | MLS002454367 | N,N-Dibutyl-N-(2-hydroxyethyl)amine | Tox21_200702 | dibutyl ethanolamine | NCGC00
Specifications & Purity
≥99%
Shipped In
Normal
Product Description
2-(Dibutylamino)ethanol is a tertiary amine. 2-(Dibutylamino)ethanol (DBAE) may be used as a coreactant to enhance the electrochemiluminescence (ECL) of tris(2,2′-bipyridyl)ruthenium(II) [Ru(bpy)32+], employed in the ECL immunoassays and DNA probe assays. DBAE may also be used as a catalyst during the synthesis of protected D-erythro-(2S,3R)-sphingosine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Alkanolamines
Direct Parent
1,2-aminoalcohols
Alternative Parents
Trialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180506
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180506
IUPAC Name
2-(dibutylamino)ethanol
INCHI
InChI=1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3
InChIKey
IWSZDQRGNFLMJS-UHFFFAOYSA-N
Smiles
CCCCN(CCCC)CCO
Isomeric SMILES
CCCCN(CCCC)CCO
WGK Germany
1
RTECS
KK3850000
UN Number
2873
Packing Group
III
Molecular Weight
173.3
Beilstein
1738441
Reaxy-Rn
1738441
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738441&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in water: Practically insoluble
Refractive Index
1.44
Flash Point(°F)
203 °F
Flash Point(°C)
90 °C
Boil Point(°C)
229-230 °C(lit.)
Melt Point(°C)
-70 °C
Molecular Weight
173.300 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
173.178 Da
Monoisotopic Mass
173.178 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
77.900
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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