Cas no 35674-65-8 (Urea,N,N''-1,3-propanediylbis[N'-octadecyl-)

Urea,N,N''-1,3-propanediylbis[N'-octadecyl- structure
35674-65-8 structure
Product Name:Urea,N,N''-1,3-propanediylbis[N'-octadecyl-
CAS No:35674-65-8
MF:C41H84N4O2
MW:665.131272315979
CID:307755
PubChem ID:56842857
Update Time:2025-04-19

Urea,N,N''-1,3-propanediylbis[N'-octadecyl- Chemical and Physical Properties

Names and Identifiers

    • 1-octadecyl-3-[3-(octadecylcarbamoylamino)propyl]urea
    • N,N''-1,3-Propanediylbis(N'-stearylurea)
    • N,N''-Propane-1,3-diylbis(N'-octadecylurea)
    • starbld0016654
    • 1,1'-(Propane-1,3-diyl)bis(3-octadecylurea)
    • UNII-N83DKN4SO2
    • Urea, N,N''-1,3-propanediylbis(N'-octadecyl-
    • NS00058221
    • 1,3-Bis(3-octadecylureido)propane
    • N,N''-1,3-Propanediylbis(N'-octadecylurea)
    • N83DKN4SO2
    • DTXSID6052033
    • 1,1'-Propane-1,3-diylbis(3-octadecylurea)
    • N,N''-1,3-Propanediylbis[N'-stearylurea]
    • 35674-65-8
    • W-110865
    • Q27284691
    • EINECS 252-667-4
    • N,N''-Propane-1,3-diylbis[N'-octadecylurea]
    • n,n''-1,3-propanediylbis[n'-octadecyl-ure
    • Urea,N,N''-1,3-propanediylbis[N'-octadecyl-
    • Inchi: 1S/C41H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-40(46)44-38-35-39-45-41(47)43-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H2,42,44,46)(H2,43,45,47)
    • InChI Key: UZXKVMHAGOJYHP-UHFFFAOYSA-N
    • SMILES: O=C(NCCCNC(NCCCCCCCCCCCCCCCCCC)=O)NCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 664.65992
  • Monoisotopic Mass: 664.65942793g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 38
  • Complexity: 579
  • 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
  • XLogP3: 16.5
  • Topological Polar Surface Area: 82.3?2

Experimental Properties

  • PSA: 82.26
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