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CAS 718638-68-7

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1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2)

Description:
1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2), with CAS number 718638-68-7, is a complex organic compound characterized by its porphyrin structure, which is known for its ability to coordinate with metal ions and participate in various chemical reactions. This substance features a quaternary ammonium group, contributing to its solubility in polar solvents and enhancing its ionic character. The presence of phenyleneoxy linkages suggests potential applications in materials science and organic electronics due to their electron-donating properties. Additionally, the chloride ion indicates that the compound exists as a salt, which may influence its stability and reactivity. The porphyrin core is notable for its role in biological systems, particularly in oxygen transport and photosynthesis, suggesting that derivatives of this compound could have applications in biochemistry or photodynamic therapy. Overall, this compound's unique structural features and functional groups make it a subject of interest in both synthetic and applied chemistry.
Formula:C44H50N6O2·2Cl
InChI:InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2/b33-29-,34-30-,35-29?,36-30?,43-39-,43-40?,44-41-,44-42?;;
InChI key:InChIKey=KJLHJQGDBJNMPU-YNSFKHHCSA-L
SMILES:O(CCC[N+](C)(C)C)C1=CC=C(C=2C=3NC(=CC3)C=C4N=C(C=C4)C(=C5NC(=CC6=NC2C=C6)C=C5)C7=CC=C(OCCC[N+](C)(C)C)C=C7)C=C1.[Cl-]
Synonyms:
  • 1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, dichloride
  • Exeporfinium chloride
  • 1-Propanaminium, 3,3′-[21H,23H-porphine-5,15-diylbis(4,1-phenyleneoxy)]bis[N,N,N-trimethyl-, chloride (1:2)
  • XF 73
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