Hemin Dimethyl Ester
[CAS# 15741-03-4]

Identification

• Name: Hemin Dimethyl Ester
• Synonyms: Hemin Dimethyl Ester; Iron, Chloro(Dimethyl 7,12-Diethenyl-3,8,13,17-Tetramethyl-21H,23H-Porphine-2,18-Dipropanoato(2-)-N21,N22,N23,N24)-, (Sp-5-13)-; Nsc 26032
• Molecular Formula: C₃₆H₃₆ClFeN₄O₄
• Molecular Weight: 680.00
• CAS Registry Number: 15741-03-4
• SMILES: [N-]2C3=CC5=NC(=CC4=NC(=CC1=C(C(=C([N-]1)C=C2C(=C3CCC(OC)=O)C)C=C)C)C(=C4C)C=C)C(=C5CCC(OC)=O)C.[Cl-].[Fe+3]
• InChI: 1S/C36H36N4O4.ClH.Fe/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27;;/h9-10,15-18H,1-2,11-14H2,3-8H3;1H;/q-2;;+3/p-1
• InChIKey: LBWRWFGAIQYAIL-UHFFFAOYSA-M

Properties

• Boiling point: 1020.3°C at 760 mmHg (Cal.)
• Flash point: 570.9°C (Cal.)