N,N'-Diethylethylenediamine - ≥95%(GC) , CAS No.111-74-0

CAS: 111-74-0 Cat. No.: N159359 Molecular Weight: 116.21 Beilstein Registry Number: 4251 EC Number: 203-902-4

GRADE & PURITY ≥95%(GC)

Synonyms

N,N'-diethylethane-1,2-diamine dihydrobromide | 3,6-diazaoctane | SCHEMBL80292 | EINECS 203-902-4 | Q27105148 | n,n'-diethyl-1,2-ethanediamine | FT-0631630 | 1,2-Bis(ethylamino)ethane | 1,2-Ethanediamine, N1,N2-diethyl- | InChI=1/C6H16N2/c1-3-7-5-6-8-4-2/

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N,N′-Diethylethylenediamine has been used as an internal standard in selective liquid chromatographic method developed for the assay of ethambutol in serum samples. It has also been used for the solvation of lithium hexamethyldisilazide.

Specifications

Synonyms

N, N'-diethylethane-1, 2-diamine dihydrobromide | 3, 6-diazaoctane | SCHEMBL80292 | EINECS 203-902-4 | Q27105148 | n, n'-diethyl-1, 2-ethanediamine | FT-0631630 | 1, 2-Bis(ethylamino)ethane | 1, 2-Ethanediamine, N1, N2-diethyl- | InChI=1/C6H16N2/c1-3-7-5-6-8-4-2/

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488183896
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183896
• Canonical Smiles: CCNCCNCC
• IUPAC Name: N,N'-diethylethane-1,2-diamine
• InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
• INCHI: 1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
• Isomeric SMILES: CCNCCNCC
• WGK Germany: 3
• Molecular Weight: 116.21
• Beilstein: 4251
• Reaxy-Rn: 1732916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• External Descriptors: diazaalkane

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water.
• Sensitivity: Air & Moisture Sensitive
• Refractive Index: 1.43
• Flash Point(°F): 91.4 °F
• Flash Point(°C): 33 °C
• Boil Point(°C): 150°C
• Molecular Weight: 116.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 116.131 Da
• Monoisotopic Mass: 116.131 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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

References

1. Jia-Qin Wu, Ding-Lin Wang, Xiao-Mei Xu, Neng-Bing Long, Rui-Feng Zhang.  (2020)  Efficient synthesis of DHA/EPA-rich phosphatidylcholine by inhibition of hydrolysis reaction using immobilized phospholipase A1 on macroporous SiO2/cationic polymer nano-composited support.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2020.111278]