N,N'-Bis(2-hydroxyethyl)ethylenediamine - ≥95% , CAS No.4439-20-7

CAS: 4439-20-7 Cat. No.: N657487 Peso molecular: 148.2 Beilstein Registry Number: 1739630 Número EC: 224-656-4

GRADE & PURITY ≥95%

Synonyms

4439-20-7|N,N'-Bis(2-hydroxyethyl)ethylenediamine|Ethanol, 2,2'-(1,2-ethanediyldiimino)bis-|N,N'-Diethanolethylenediamine|1,2-Bis((2-hydroxyethyl)amino)ethane|3,6-Diazaoctane-1,8-diol|2-[2-(2-hydroxyethylamino)ethylamino]ethanol|2,2'-(Ethane-1,2-diylbis(a

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Descripción general

The ideal-gas enthalpy of formation of N,N′-bis(2-hydroxyethyl)ethylenediamine was studied

Specifications

Sinónimos

4439-20-7 | N, N'-Bis(2-hydroxyethyl)ethylenediamine | Ethanol, 2, 2'-(1, 2-ethanediyldiimino)bis- | N, N'-Diethanolethylenediamine | 1, 2-Bis((2-hydroxyethyl)amino)ethane | 3, 6-Diazaoctane-1, 8-diol | 2-[2-(2-hydroxyethylamino)ethylamino]ethanol | 2, 2'-(Ethane-1, 2-diylbis(a

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(CNCCO)NCCO
• IUPAC Name: 2-[2-(2-hydroxyethylamino)ethylamino]ethanol
• InChIKey: GFIWSSUBVYLTRF-UHFFFAOYSA-N
• INCHI: 1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
• Isómeros SMILES: C(CNCCO)NCCO
• WGK Alemania: 3
• Peso molecular: 148.2
• Beilstein: 1739630
• Reaxy-Rn: 1739453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739453&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: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 98.0-102.0°C
• Peso molecular: 148.200 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 148.121 Da
• Monoisotopic Mass: 148.121 Da
• Topological Polar Surface Area: 64.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 53.700
• 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