Chemical Properties of Copper octaethylporphyrin (CAS 14409-63-3)

InChI

InChI=1S/C36H44N4.Cu/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;

InChI Key

WYWUPEFEFRBNGN-XTPDIVBZSA-N

Formula

C36H44CuN4

SMILES

CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Cu]

Molecular Weight¹

596.31

CAS

14409-63-3

Other Names

• Cu-OEP complex
• 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine copper

• IE : Ionization energy (eV).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	6.31 ± 0.03	eV	NIST
Inp	[5390.00; 5390.00]
Inp	5390.00		NIST
Inp	5390.00		NIST
Inp	5390.00		NIST

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Similar Compounds

Find more compounds similar to Copper octaethylporphyrin.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• NIST Webbook

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