N,N-Dibutylethanolamine - ≥99% , CAS No.102-81-8

CAS: 102-81-8 Cat. No.: N164464 Fórmula: C₁₀H₂₃NO Peso molecular: 173.3 Beilstein Registry Number: 1738441 Número CE: 203-057-1

GRADE & PURITY ≥99%

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

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

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.

Specifications

Sinónimos

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

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488180506

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180506

Sorrisos canónicos

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

SMILES isoméricas

CCCCN(CCCC)CCO

WGK Alemanha

1

RTECS

KK3850000

Número UN

2873

Grupo de embalagem

III

Peso molecular

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in water: Practically insoluble
• Índice de refração: 1.44
• Ponto de inflamação (°F): 203 °F
• Ponto de inflamação (°C): 90 °C
• Ponto de ebulição (°C): 229-230 °C(lit.)
• Ponto de fusão (°C): -70 °C
• Peso molecular: 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