Cas no 94883-66-6 (Benzenecarboximidamide,4,4'-[[2,2-bis[[4-(aminoiminomethyl)-2-bromophenoxy]methyl]-1,3-propanediyl]bis(oxy)]bis[3-bromo-(9CI))

Benzenecarboximidamide,4,4'-[[2,2-bis[[4-(aminoiminomethyl)-2-bromophenoxy]methyl]-1,3-propanediyl]bis(oxy)]bis[3-bromo-(9CI) structure
94883-66-6 structure
Product Name:Benzenecarboximidamide,4,4'-[[2,2-bis[[4-(aminoiminomethyl)-2-bromophenoxy]methyl]-1,3-propanediyl]bis(oxy)]bis[3-bromo-(9CI)
CAS No:94883-66-6
MF:C33H32Br4N8O4
MW:924.274383544922
CID:804136
PubChem ID:160326
Update Time:2025-04-19

Benzenecarboximidamide,4,4'-[[2,2-bis[[4-(aminoiminomethyl)-2-bromophenoxy]methyl]-1,3-propanediyl]bis(oxy)]bis[3-bromo-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide,4,4'-[[2,2-bis[[4-(aminoiminomethyl)-2-bromophenoxy]methyl]-1,3-propanediyl]bis(oxy)]bis[3-bromo-(9CI)
    • 3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)-2,2-bis[(2-bromo-4-carbamimidoylphenoxy)methyl]propoxy]benzenecarboximidamide
    • 4,4'-(2,2-bis((4-(aminoiminomethyl)-2-bromophenoxy)methyl)-1,3-propanediyl)bis(oxy))bis(3-bromobenzenecarboximidamide
    • DTXSID10241664
    • Benzenecarboximidamide, 4,4'-((2,2-bis((4-aminoiminomethyl)-2-bromophenoxy)methyl)-1,3-propanediyl)bis(oxy))bis(3-bromo-
    • Tapp-Br
    • 94883-66-6
    • Inchi: 1S/C33H32Br4N8O4/c34-21-9-17(29(38)39)1-5-25(21)46-13-33(14-47-26-6-2-18(30(40)41)10-22(26)35,15-48-27-7-3-19(31(42)43)11-23(27)36)16-49-28-8-4-20(32(44)45)12-24(28)37/h1-12H,13-16H2,(H3,38,39)(H3,40,41)(H3,42,43)(H3,44,45)
    • InChI Key: JUBROEVQZOEUHS-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=N)N)C=CC=1OCC(COC1C=CC(C(=N)N)=CC=1Br)(COC1C=CC(C(=N)N)=CC=1Br)COC1C=CC(C(=N)N)=CC=1Br

Computed Properties

  • Exact Mass: 923.92390g/mol
  • Monoisotopic Mass: 919.92800g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 16
  • Complexity: 983
  • 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: 5.6
  • Topological Polar Surface Area: 236?2
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