N,N-Dibutylethanolamine - ≥98% , CAS No.102-81-8

CAS: 102-81-8 Cat. No.: N299074 Formula: C₁₀H₂₃NO Molecular Weight: 173.3 Beilstein Registry Number: 1738441 EC Number: 203-057-1

GRADE & PURITY ≥98%

Synonyms

PRD-Number: 30036906 | 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 | dibuty

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Product introduction:

2-(Dibutylamino)ethanol is a tertiary amine.Dibutylethanolamine belongs to the class of N-alkylated aminoalcohols.

Application：
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.

Dibutylethanolamine belongs to the class of N-alkylated aminoalcohols. Dibutylethanolamine (DBEOA) serves as a specialty additive in a variety of industries.

Specifications

Synonyms

PRD-Number: 30036906 | 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 | dibuty

Specifications & Purity

≥98%

Legal Information

This product is produced in basf.

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%

Names and Identifiers

Pubchem Sid

528765704

Canonical Smiles

CCCCN(CCCC)CCO

IUPAC Name

2-(dibutylamino)ethanol

InChIKey

IWSZDQRGNFLMJS-UHFFFAOYSA-N

INCHI

1S/C10H23NO/c1-3-5-7-11(9-10-12)8-6-4-2/h12H,3-10H2,1-2H3

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• 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