Cas no 54824-76-9 (1-benzyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane)

1-benzyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane structure
54824-76-9 structure
Product Name:1-benzyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
CAS No:54824-76-9
MF:C13H19NO3Si
MW:265.380364656448
CID:1593564
PubChem ID:198332
Update Time:2025-04-21

1-benzyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane Chemical and Physical Properties

Names and Identifiers

    • 1-benzyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
    • 5-benzyl-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
    • 54824-76-9
    • 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-benzyl-
    • DTXSID10203323
    • BRN 0998795
    • 1-Benzylsilatrane
    • 1-Benzyl-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane
    • Inchi: 1S/C13H19NO3Si/c1-2-4-13(5-3-1)12-18-15-9-6-14(7-10-16-18)8-11-17-18/h1-5H,6-12H2
    • InChI Key: SRBITCXNLLFEGJ-UHFFFAOYSA-N
    • SMILES: [Si]12(CC3C=CC=CC=3)OCCN(CCO1)CCO2

Computed Properties

  • Exact Mass: 265.11347
  • Monoisotopic Mass: 265.11342000g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 244
  • 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
  • Topological Polar Surface Area: 30.9?2

Experimental Properties

  • PSA: 30.93
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