(2S-trans)-18-(((2-Aminoethyl)Amino)Carbonyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-20-(2-Methoxy-2-Oxoethyl)-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoic Acid
[CAS# 114849-41-1]

Identification

• Name: (2S-trans)-18-(((2-Aminoethyl)Amino)Carbonyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-20-(2-Methoxy-2-Oxoethyl)-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoic Acid
• Synonyms: 18-Aminoethylcarbamoyl-20-Methoxycarbonylmethyl-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoic Acid; 21H,23H-Porphine-2-Propanoic Acid, 18-(((2-Aminoethyl)Amino)Carbonyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-20-(2-Methoxy-2-Oxoethyl)-3,7,12,17-Tetramethyl-, (2S-Trans)-; Chlorin E6 Ethylenediamide
• Molecular Formula: C₃₇H₄₄N₆O₅
• Molecular Weight: 652.79
• CAS Registry Number: 114849-41-1
• SMILES: [C@H]5(C2=NC(=CC1=C(C(=C([NH]1)C=C4[NH]C(=CC3=NC(=C2CC(OC)=O)C(=C3C)C(=O)NCCN)C(=C4C)CC)C=C)C)[C@H]5C)CCC(=O)O
• InChI: 1S/C37H44N6O5/c1-8-22-18(3)26-15-28-20(5)24(10-11-32(44)45)35(42-28)25(14-33(46)48-7)36-34(37(47)39-13-12-38)21(6)29(43-36)17-31-23(9-2)19(4)27(41-31)16-30(22)40-26/h8,15-17,20,24,40-41H,1,9-14,38H2,2-7H3,(H,39,47)(H,44,45)/t20-,24-/m0/s1
• InChIKey: DXKMNNMNVODHQH-RDPSFJRHSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 1100.5°C at 760 mmHg (Cal.)
• Flash point: 619.36°C (Cal.)