Diethanolamine(DEA) - Standard for GC, ≥99.7%(GC) , CAS No.111-42-2

CAS: 111-42-2 Cat. No.: D112358 Fórmula: C₄H₁₁NO₂ Peso molecular: 105.14 Beilstein Registry Number: 605315 Número EC: 203-868-0

CALIDAD & PUREZA Standard for GC, ≥99.7%(GC)

Synonyms

bis-(2-hydroxyethyl)amine | bis-(2-hydroxy-ethyl)-amine | bis-(2-hydroxyethyl)-amine | Bis(2-hydroxyethyl)amine | DIETHANOLAMINE (II) | HSDB 924 | WLN: Q2M2Q | 2,2'-DIHYDROXYDIETHYL AMINE | AZE05TDV2V | Diaethanolamin [German] | 2,2'-Iminobis[ethanol] | g

Storage

Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

bis-(2-hydroxyethyl)amine | bis-(2-hydroxy-ethyl)-amine | bis-(2-hydroxyethyl)-amine | Bis(2-hydroxyethyl)amine | DIETHANOLAMINE (II) | HSDB 924 | WLN: Q2M2Q | 2,2'-DIHYDROXYDIETHYL AMINE | AZE05TDV2V | Diaethanolamin [German] | 2,2'-Iminobis[ethanol] | g

Especificaciones y pureza

Standard for GC, ≥99.7%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged,Desiccated

Enviado en

FedEx DG Service

Grado

Standard for GC

Pureza

≥99.7%(GC)

Nombres e identificadores

Pubchem Sid

508812079

Sonrisas canónicas

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

Isómeros SMILES

C(CO)NCCO

WGK Alemania

1

RTECS

KL2975000

Número ONU

3082

Grupo de embalaje

III

Peso molecular

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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GMNN Tbio Geminin (128009 Activities)

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Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water and ethanol, insoluble in ether and benzene.
• Sensibilidad: Hygroscopic；Air sensitive
• Índice de refracción: 1.477
• Punto de inflamación (°F): 280.4 °F - closed cup
• Punto de inflamación (°C): 138 °C
• Punto de ebullición (°C): 217°C
• Punto de fusión (°C): 28°C
• Peso molecular: 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