Hematohemin IX
[CAS# 15632-20-9]

Identification

• Name: Hematohemin IX
• Synonyms: Hematohemin Ix
• Molecular Formula: C₃₄H₃₆ClFeN₄O₆
• Molecular Weight: 687.98
• CAS Registry Number: 15632-20-9
• SMILES: N1=C3C(=C(C1=CC2=C(C(=C([N-]2)C=C5[N-]C(=CC4=NC(=C3)C(=C4C)CCC([O-])=O)C(=C5C(O)C)C)C)C(O)C)C)CCC([O-])=O.[H+].[H+].[Cl-].[Fe+3]
• InChI: 1S/C34H38N4O6.ClH.Fe/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;;/h11-14,19-20,39-40H,7-10H2,1-6H3,(H4,35,36,37,38,41,42,43,44);1H;/q;;+3/p-3
• InChIKey: UQHUJMUVNUXJFL-UHFFFAOYSA-K

Properties

• Boiling point: 1180.2°C at 760 mmHg (Cal.)
• Flash point: 667.6°C (Cal.)