Cas no 57413-95-3 (Xinjunan)

Xinjunan structure
Xinjunan structure
Product Name:Xinjunan
CAS No:57413-95-3
MF:C20H45N3
MW:327.591405630112
CID:376093
PubChem ID:93665
Update Time:2025-04-19

Xinjunan Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediamine,N1-octyl-N2-[2-(octylamino)ethyl]-
    • N-Octyl-N'-[2-(octylamino)ethyl]-1,2-ethanediamine
    • N-octyl-N'-[2-(octylamino)ethyl]ethylenediamine
    • 1,2-Ethanediamine, N1-octyl-N2-(2-(octylamino)ethyl)-
    • 1,2-Ethanediamine, N-octyl-N'-(2-(octylamino)ethyl)-
    • N-Octyl-N'-(2-(octylamino)ethyl)ethylenediamine
    • N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
    • EINECS 260-725-5
    • SEBOCTYLAMINE [ISO]
    • Xinjunan
    • n1-octyl-n2-(2-(octylamino)ethyl)ethane-1,2-diamine
    • 57413-95-3
    • W-111135
    • DTXSID20275915
    • SEBOCTYLAMINE
    • 1,2-Ethanediamine, N-octyl-N'-[2-(octylamino)ethyl]- (9CI); N1-Octyl-N2-[2-(octylamino)ethyl]-1,2-ethanediamine; Dioctyldiethylenetriamine; Xinjunan
    • 1,2-Ethanediamine, N-octyl-N'-[2-(octylamino)ethyl]-
    • 1ST21341
    • N,N''-Dioctyldiethylenetriamine 100 microg/mL in Acetonitrile
    • dioctyldiethylenetriamine
    • NS00009488
    • N-OCTYL-N'-(2-(OCTYLAMINO)ETHYL)ETHANE-1,2-DIAMINE
    • N(SUP 1)-OCTYL-N(SUP 2)-(2-(OCTYLAMINO)ETHYL)-1,2-ETHANEDIAMINE
    • Q27278093
    • SCHEMBL9322900
    • UNII-FO4S6R9L1R
    • FO4S6R9L1R
    • N,N''-Dioctyldiethylenetriamine
    • 1,2-Ethanediamine, N1-octyl-N2-[2-(octylamino)ethyl]-
    • DTXCID50227280
    • OXWFFWJKUNMMSO-UHFFFAOYSA-N
    • dioctyldiethylenetriamine acetate
    • MDL: MFCD18974217
    • Inchi: 1S/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3
    • InChI Key: OXWFFWJKUNMMSO-UHFFFAOYSA-N
    • SMILES: N(CCNCCNCCCCCCCC)CCCCCCCC

Computed Properties

  • Exact Mass: 327.36165
  • Monoisotopic Mass: 327.361
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 20
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 36.1A^2
  • XLogP3: 5.8

Experimental Properties

  • Density: 0.85
  • Boiling Point: 413.9°Cat760mmHg
  • Flash Point: 202.8°C
  • Refractive Index: 1.46
  • PSA: 36.09

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