3,3'-[7,12-Bis(1-Hydroxyethyl)-3,8,13,17-Tetramethyl-2,18-Porphyrindiyl]Dipropanoic Acid - 1-(Hexyloxy)Hexane (1:1)
[CAS# 111922-13-5]

Identification

• Name: 3,3'-[7,12-Bis(1-Hydroxyethyl)-3,8,13,17-Tetramethyl-2,18-Porphyrindiyl]Dipropanoic Acid - 1-(Hexyloxy)Hexane (1:1)
• Synonyms: hematoporphyrin dihexyl ether
• Molecular Formula: C₄₆H₆₄N₄O₇
• Molecular Weight: 785.02
• CAS Registry Number: 111922-13-5
• SMILES: CCCCCCOCCCCCC.CC(O)\C2=C(/C)c1cc5nc(cc4nc(cc3nc(cc2n1)c(C)c3C(C)O)C(\C)=C4\CCC(O)=O)c(CCC(O)=O)c5C
• InChI: 1S/C34H38N4O6.C12H26O/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27;1-3-5-7-9-11-13-12-10-8-6-4-2/h11-14,19-20,35,38-40H,7-10H2,1-6H3,(H,41,42)(H,43,44);3-12H2,1-2H3/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-
• InChIKey: DICSURYAZZITPN-IDTMDVKXSA-N

Properties

• Boiling point: 1144.2°C at 760 mmHg (Cal.)
• Flash point: 645.8°C (Cal.)
• Refractive index: (Cal.)