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

CAS: 111-42-2 Cat. No.: D112361 Formule: C₄H₁₁NO₂ Poids moléculaire: 105.14 Beilstein Registry Number: 605315 Numéro CE: 203-868-0

QUALITÉ & PURETÉ 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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

ACS, ≥99%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Grade

ACS

Pureté

≥99%(GC)

Noms et identifiants

Pubchem Sid

508812077

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C(CO)NCCO

WGK Allemagne

1

RTECS

KL2975000

Numéro ONU

3082

Groupe d'emballage

III

Poids moléculaire

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
    • 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: 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
• 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: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water and ethanol, insoluble in ether and benzene.
• Sensibilité: Hygroscopic;Air sensitive
• Indice de réfraction: 1.477
• Point d'éclair (°F): 280.4 °F - closed cup
• Point d'éclair (°C): 138 °C
• Point d'ébullition (°C): 217°C
• Point de fusion (°C): 28°C
• Poids moléculaire: 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