Cas no 246861-30-3 (1,4,8,11-Tetraazabicyclo[9.3.3]heptadecane)

1,4,8,11-Tetraazabicyclo[9.3.3]heptadecane structure
246861-30-3 structure
Product Name:1,4,8,11-Tetraazabicyclo[9.3.3]heptadecane
CAS No:246861-30-3
MF:C13H28N4
MW:240.388222694397
CID:1418098
Update Time:2024-08-15

1,4,8,11-Tetraazabicyclo[9.3.3]heptadecane Chemical and Physical Properties

Names and Identifiers

    • 1,4,8,11-Tetraazabicyclo[9.3.3]heptadecane
    • Inchi: 1S/C13H28N4/c1-4-14-6-12-16-8-2-9-17(11-3-10-16)13-7-15-5-1/h14-15H,1-13H2
    • InChI Key: ZGMXPFPPISTDFN-UHFFFAOYSA-N
    • SMILES: N12CCCN(CCC1)CCNCCCNCC2

Computed Properties

  • Exact Mass: 240.23164

Experimental Properties

  • Density: 1.02±0.1 g/cm3(Predicted)
  • Boiling Point: 361.3±10.0 °C(Predicted)
  • PSA: 30.54
  • pka: 10.53±0.20(Predicted)
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