Cas no 5428-69-3 ( )

  structure
  structure
Product Name: 
CAS No:5428-69-3
MF:C25H27ClN2O2
MW:422.947085618973
CID:940483
Update Time:2024-06-13

  Chemical and Physical Properties

Names and Identifiers

    • 6,6'-methanediylbis(2-ethoxy-4-methylquinoline)
    • Quinoline, 6,6'-methylenebis[2-ethoxy-4-methyl-, monohydrochloride (9CI)
    •  
    • Inchi: 1S/C25H26N2O2.ClH/c1-5-28-24-11-16(3)20-14-18(7-9-22(20)26-24)13-19-8-10-23-21(15-19)17(4)12-25(27-23)29-6-2;/h7-12,14-15H,5-6,13H2,1-4H3;1H
    • InChI Key: PZEUNHICFHJAQX-UHFFFAOYSA-N
    • SMILES: CC1=CC(OCC)=NC2=CC=C(CC3=CC=C4N=C(OCC)C=C(C)C4=C3)C=C12.Cl

Computed Properties

  • Exact Mass: 386.19958
  • Monoisotopic Mass: 421.168281
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 471
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 44.2

Experimental Properties

  • Density: 1.146
  • Boiling Point: 551.6°C at 760 mmHg
  • Flash Point: 193.4°C
  • Refractive Index: 1.628
  • PSA: 44.24
  • LogP: 6.59000
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