Cas no 51461-89-3 (7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis-)

7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis- structure
51461-89-3 structure
Product Name:7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis-
CAS No:51461-89-3
MF:C40H74N4
MW:611.042371273041
CID:362239
PubChem ID:21454741
Update Time:2025-04-19

7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis- Chemical and Physical Properties

Names and Identifiers

    • 7,15-Diazadispiro[5.1.5.3]hexadecane, 15,15'-(1,12-dodecanediyl)bis-
    • 15-[12-(7,15-diazadispiro[5.1.5<sup>8</sup>.3<sup>6</sup>]hexadecan-15-yl)dodecyl]-7,15-diazadispiro[5.1.5<sup>8</sup>.3<sup>6</sup>]hexadecane
    • SCHEMBL11704985
    • 51461-89-3
    • 15,15'-(Dodecane-1,12-diyl)bis(7,15-diazadispiro[5.1.5~8~.3~6~]hexadecane)
    • DTXSID50614212
    • Inchi: 1S/C40H74N4/c1(3-5-7-21-31-43-33-37(23-13-9-14-24-37)41-38(34-43)25-15-10-16-26-38)2-4-6-8-22-32-44-35-39(27-17-11-18-28-39)42-40(36-44)29-19-12-20-30-40/h41-42H,1-36H2
    • InChI Key: PSVZTCPJAVETLU-UHFFFAOYSA-N
    • SMILES: N1C2(CCCCC2)CN(CCCCCCCCCCCCN2CC3(CCCCC3)NC3(CCCCC3)C2)CC21CCCCC2

Computed Properties

  • Exact Mass: 610.59182
  • Monoisotopic Mass: 610.59134838g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 13
  • Complexity: 695
  • 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: 10.2
  • Topological Polar Surface Area: 30.5?2

Experimental Properties

  • PSA: 30.54
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