Cas no 3753-42-2 (N,N'-(cyclohexane-1,4-diyldimethanediyl)dicycloheptanamine dihydrochloride)

N,N'-(cyclohexane-1,4-diyldimethanediyl)dicycloheptanamine dihydrochloride structure
3753-42-2 structure
Product Name:N,N'-(cyclohexane-1,4-diyldimethanediyl)dicycloheptanamine dihydrochloride
CAS No:3753-42-2
MF:C22H44Cl2N2
MW:407.50416469574
CID:1484781
PubChem ID:77361
Update Time:2025-04-21

N,N'-(cyclohexane-1,4-diyldimethanediyl)dicycloheptanamine dihydrochloride Chemical and Physical Properties

Names and Identifiers

    • N,N'-(cyclohexane-1,4-diyldimethanediyl)dicycloheptanamine dihydrochloride
    • DTXSID00958613
    • N,N'-[Cyclohexane-1,4-diylbis(methylene)]dicycloheptanamine--hydrogen chloride (1/2)
    • trans-N,N'-(1,4-Cyclohexylenedimethylene)dicycloheptylamine dihydrochloride
    • 1,4-Cyclohexanebis(methylamine), N,N'-dicycloheptyl-, dihydrochloride, (E)-
    • trans-N,N'-Dicycloheptyl-1,4-cyclohexanebis(methylamine) dihydrochloride
    • Cycloheptylamine, N,N'-(1,4-cyclohexylenedimethylene)di-, dihydrochloride, (E)-
    • 3753-42-2
    • Inchi: 1S/C22H42N2.2ClH/c1-2-6-10-21(9-5-1)23-17-19-13-15-20(16-14-19)18-24-22-11-7-3-4-8-12-22;;/h19-24H,1-18H2;2*1H
    • InChI Key: DTNBCRXQERFIGT-UHFFFAOYSA-N
    • SMILES: Cl.Cl.N(C1CCCCCC1)CC1CCC(CNC2CCCCCC2)CC1

Computed Properties

  • Exact Mass: 406.28852
  • Monoisotopic Mass: 406.2881548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 274
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 24.1?2

Experimental Properties

  • PSA: 24.06
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