Hematoheme
[CAS# 19584-91-9]

Identification

• Name: Hematoheme
• Synonyms: Hematoheme
• Molecular Formula: C₃₄H₃₆FeN₄O₆
• Molecular Weight: 652.53
• CAS Registry Number: 19584-91-9
• SMILES: [N-]2C3=CC5=NC(=CC4=NC(=CC1=C(C(=C([N-]1)C=C2C(=C3C(O)C)C)C(O)C)C)C(=C4CCC([O-])=O)C)C(=C5C)CCC([O-])=O.[H+].[H+].[Fe++]
• InChI: 1S/C34H38N4O6.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);/q;+2/p-2
• InChIKey: SKVLGUBZZNOQIG-UHFFFAOYSA-L

Properties

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