Cas no 55973-70-1 (Methanone,1,1'-(1,4-piperazinediyl)bis[1-(4-aminophenyl)-)

Methanone,1,1'-(1,4-piperazinediyl)bis[1-(4-aminophenyl)- structure
55973-70-1 structure
Product Name:Methanone,1,1'-(1,4-piperazinediyl)bis[1-(4-aminophenyl)-
CAS No:55973-70-1
MF:C18H20N4O2
MW:324.377003669739
CID:377891
PubChem ID:91963
Update Time:2025-04-19

Methanone,1,1'-(1,4-piperazinediyl)bis[1-(4-aminophenyl)- Chemical and Physical Properties

Names and Identifiers

    • [4-(4-aminobenzoyl)piperazin-1-yl]-(4-aminophenyl)methanone
    • 1,4-bis(4-aminobenzoyl)piperazine
    • 1,4-bis-(4-amino-benzoyl)-piperazine
    • EINECS 259-927-6
    • N,N'-Bis-(4-aminobenzoyl)-piperazin
    • piperazine-1,4-diylbis[(4-aminophenyl)methanone]
    • 1,4-bis-(4-Aminobenzoyl)piperazine
    • NS00033433
    • Oprea1_654249
    • 55973-70-1
    • DTXSID50204551
    • SCHEMBL20261717
    • 4-{[4-(4-aminobenzoyl)-1-piperazinyl]carbonyl}aniline
    • Methanone,1,1'-(1,4-piperazinediyl)bis[1-(4-aminophenyl)-
    • Inchi: 1S/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2
    • InChI Key: VZMALRANZODVRJ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)N)N1CCN(C(C2C=CC(=CC=2)N)=O)CC1

Computed Properties

  • Exact Mass: 324.15900
  • Monoisotopic Mass: 324.15862589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 404
  • 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: 0.9
  • Topological Polar Surface Area: 92.7?2

Experimental Properties

  • PSA: 92.66000
  • LogP: 2.48740
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