Cas no 70198-24-2 (undecane-1,6,11-triyl triisocyanate)

undecane-1,6,11-triyl triisocyanate structure
70198-24-2 structure
Product Name:undecane-1,6,11-triyl triisocyanate
CAS No:70198-24-2
MF:C14H21N3O3
MW:279.334843397141
CID:974757
PubChem ID:112380
Update Time:2025-04-19

undecane-1,6,11-triyl triisocyanate Chemical and Physical Properties

Names and Identifiers

    • undecane-1,6,11-triyl triisocyanate
    • 1,6,11-triisocyanatoundecane
    • Undecane, 1,6,11-triisocyanato-
    • DTXSID2072041
    • 70198-24-2
    • NS00037016
    • EINECS 274-379-8
    • SCHEMBL62816
    • VAGFVLBAZGSOAC-UHFFFAOYSA-N
    • Inchi: 1S/C14H21N3O3/c18-11-15-9-5-1-3-7-14(17-13-20)8-4-2-6-10-16-12-19/h14H,1-10H2
    • InChI Key: VAGFVLBAZGSOAC-UHFFFAOYSA-N
    • SMILES: O=C=NC(CCCCCN=C=O)CCCCCN=C=O

Computed Properties

  • Exact Mass: 279.15843
  • Monoisotopic Mass: 279.15829154g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 13
  • Complexity: 351
  • 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: 5.4
  • Topological Polar Surface Area: 88.3?2

Experimental Properties

  • PSA: 88.29
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