Cas no 494769-64-1 (1,5,9-Triazacyclododecane, 1,5-didodecyl-)

1,5,9-Triazacyclododecane, 1,5-didodecyl- structure
494769-64-1 structure
Product Name:1,5,9-Triazacyclododecane, 1,5-didodecyl-
CAS No:494769-64-1
MF:C33H69N3
MW:507.921069860458
CID:1521993
Update Time:2024-08-24

1,5,9-Triazacyclododecane, 1,5-didodecyl- Chemical and Physical Properties

Names and Identifiers

    • 1,5,9-Triazacyclododecane, 1,5-didodecyl-
    • Inchi: 1S/C33H69N3/c1-3-5-7-9-11-13-15-17-19-21-28-35-30-23-26-34-27-24-31-36(33-25-32-35)29-22-20-18-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3
    • InChI Key: CGSOAEUFHPEZRG-UHFFFAOYSA-N
    • SMILES: N1(CCCCCCCCCCCC)CCCNCCCN(CCCCCCCCCCCC)CCC1

Computed Properties

  • Exact Mass: 507.54957

Experimental Properties

  • Density: 0.851±0.06 g/cm3(Predicted)
  • Boiling Point: 580.5±45.0 °C(Predicted)
  • PSA: 18.51
  • pka: 10?+-.0.20(Predicted)
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