3-(Carboxymethyl)-12-Ethyl-8,13,17-Trimethyl-21H,23H-Porphine-2,7,18-Tripropanoic Acid
[CAS# 36548-09-1]

Identification

• Name: 3-(Carboxymethyl)-12-Ethyl-8,13,17-Trimethyl-21H,23H-Porphine-2,7,18-Tripropanoic Acid
• Synonyms: Isocoproporphyrin
• Molecular Formula: C₃₆H₃₈N₄O₈
• Molecular Weight: 654.72
• CAS Registry Number: 36548-09-1
• SMILES: C(C(=O)O)C1=C(C2=CC5=NC(=CC4=C(C(=C(C=C3N=C(C=C1[NH]2)C(=C3C)CCC(=O)O)[NH]4)CC)C)C(=C5CCC(=O)O)C)CCC(=O)O
• InChI: 1S/C36H38N4O8/c1-5-20-17(2)25-13-26-18(3)21(6-9-33(41)42)29(38-26)15-31-23(8-11-35(45)46)24(12-36(47)48)32(40-31)16-30-22(7-10-34(43)44)19(4)27(39-30)14-28(20)37-25/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
• InChIKey: UHKZSWAPQUEURH-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 1248.304°C at 760 mmHg (Cal.)
• Flash point: 708.748°C (Cal.)