Diethanolamine(DEA) - ACS, ≥99%(GC) , CAS No.111-42-2

CAS: 111-42-2 Cat. No.: D112361 分子式: C₄H₁₁NO₂ 分子量: 105.14 Beilstein Registry Number: 605315 EC番号: 203-868-0

グレード＆純度 ACS, ≥99%(GC)

Synonyms

Bis(2-hydroxyethyl)amine | 2,2'-Iminodiethanol | 2,2'-Dihydroxydiethylamine | Bis(beta-hydroxyethyl)amine

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

概要

Diethanolamine (DEA) may be used to compose the Ti(O-i-Pr)4 (titanium isopropoxide)-diethanolamine-i-propanol system, required for the preparation of transparent TiO2 films by dip-coating method. It may be used for the coating of ZnO nanoparticles.

仕様

同義語

Bis(2-hydroxyethyl)amine | 2,2'-Iminodiethanol | 2,2'-Dihydroxydiethylamine | Bis(beta-hydroxyethyl)amine

仕様と純度

ACS, ≥99%(GC)

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

等級

ACS

純度

≥99%(GC)

名前と識別子

パブケム・シド

508812077

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508812077

カノニカル・スマイル

C(CO)NCCO

IUPAC Name

2-(2-hydroxyethylamino)ethanol

InChIKey

ZBCBWPMODOFKDW-UHFFFAOYSA-N

INCHI

1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2

異性体SMILES

C(CO)NCCO

WGKドイツ

1

RTECS

KL2975000

UN番号

3082

包装グループ

III

分子量

105.14

Beilstein

605315

Reaxy-Rn

605315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605315&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: 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: ethanolamines

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water and ethanol, insoluble in ether and benzene.
• 感度: Hygroscopic;Air sensitive
• 屈折率: 1.477
• 引火点（°F）: 280.4 °F - closed cup
• 引火点（°C）: 138 °C
• 沸点（°C）: 217°C
• 融点（°C）: 28°C
• 分子量: 105.140 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 105.079 Da
• Monoisotopic Mass: 105.079 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 28.900
• 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