Cas no 121324-49-0 (Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-, hydrochloride (9CI))

Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-, hydrochloride (9CI) structure
121324-49-0 structure
Product Name:Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-, hydrochloride (9CI)
CAS No:121324-49-0
MF:C18H23ClN4O2
MW:362.853822946548
CID:145005
PubChem ID:129418
Update Time:2025-04-19

Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-, hydrochloride (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide,4,4'-[1,4-butanediylbis(oxy)]bis-, hydrochloride (9CI)
    • 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide,hydrochloride
    • butamidine
    • 1,4-Bis(4-amidinophenoxy)butane
    • 4,4'-[butane-1,4-diylbis(oxy)]dibenzenecarboximidamide
    • 4,4'-[butane-1,4-diylbis(oxy)]dibenzenecarboximidamide hydrochloride (1:1)
    • Benzenecarboximidamide, 4,4'-(1,4-butanediylbis(oxy))bis-, hydrochloride
    • 4,4'-(1,4-Butanediyl)bis(oxy)bisbenzamidine
    • 4,4'-[1,4-Butanediylbis(oxy)]bis[benzamidine]
    • 4-[4-(4-carbamimidoylphenoxy)butoxy]benzenecarboximidamide;hydrochloride
    • 121324-49-0
    • Inchi: 1S/C18H22N4O2.ClH/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22;/h3-10H,1-2,11-12H2,(H3,19,20)(H3,21,22);1H
    • InChI Key: PGCCWKNTLABRMZ-UHFFFAOYSA-N
    • SMILES: Cl.O(C1C=CC(C(=N)N)=CC=1)CCCCOC1C=CC(C(=N)N)=CC=1

Computed Properties

  • Exact Mass: 326.17446
  • Monoisotopic Mass: 326.174
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 9
  • Complexity: 362
  • 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: 118?2

Experimental Properties

  • Boiling Point: 530.4°Cat760mmHg
  • Flash Point: 274.6°C
  • Refractive Index: 1.6
  • PSA: 118.2
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