5-Aminomethyl-4,3'-bis(carboxymethyl)-3,4'-bis(2-carboxyethyl)dipyrrolylmethane
[CAS# 29261-13-0]

Identification

• Name: 5-Aminomethyl-4,3'-bis(carboxymethyl)-3,4'-bis(2-carboxyethyl)dipyrrolylmethane
• Synonyms: 3-[5-(Aminomethyl)-2-[[4-(2-Carboxyethyl)-3-(Carboxymethyl)-1H-Pyrrol-2-Yl]Methyl]-4-(Carboxymethyl)-1H-Pyrrol-3-Yl]Propionic Acid; 1H-Pyrrole-3-Propanoic Acid, 5-(Aminomethyl)-2-((4-(2-Carboxyethyl)-3-(Carboxymethyl)-1H-Pyrrol-2-Yl)Methyl)-4-(Carboxymethyl)-; Pyrromethane Cofactor
• Molecular Formula: C₂₀H₂₅N₃O₈
• Molecular Weight: 435.43
• CAS Registry Number: 29261-13-0
• SMILES: C1=C(C(=C([NH]1)CC2=C(C(=C([NH]2)CN)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O
• InChI: 1S/C20H25N3O8/c21-8-16-13(6-20(30)31)11(2-4-18(26)27)15(23-16)7-14-12(5-19(28)29)10(9-22-14)1-3-17(24)25/h9,22-23H,1-8,21H2,(H,24,25)(H,26,27)(H,28,29)(H,30,31)
• InChIKey: VBVFYFROBGFPFB-UHFFFAOYSA-N

Properties

• Density: 1.511g/cm³ (Cal.)
• Boiling point: 744.565°C at 760 mmHg (Cal.)
• Flash point: 404.098°C (Cal.)