N-[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphoanthracen-1-Yl)Amino]Phenyl]-beta-Alanine
[CAS# 62155-80-0]

Identification

• Name: N-[4-[(4-Amino-9,10-Dihydro-9,10-Dioxo-3-Sulphoanthracen-1-Yl)Amino]Phenyl]-beta-Alanine
• Synonyms: 3-[[4-[(4-Amino-9,10-Dioxo-3-Sulfo-1-Anthryl)Amino]Phenyl]Amino]Propanoic Acid; 3-[[4-[(4-Amino-9,10-Diketo-3-Sulfo-1-Anthryl)Amino]Phenyl]Amino]Propionic Acid; 3-[[4-[(4-Amino-9,10-Dioxo-3-Sulfo-Anthracen-1-Yl)Amino]Phenyl]Amino]Propanoic Acid
• Molecular Formula: C₂₃H₁₉N₃O₇S
• Molecular Weight: 481.48
• CAS Registry Number: 62155-80-0
• EINECS: 263-439-9
• SMILES: C1=C([S](=O)(=O)O)C(=C3C(=C1NC2=CC=C(NCCC(=O)O)C=C2)C(=O)C4=C(C3=O)C=CC=C4)N
• InChI: 1S/C23H19N3O7S/c24-21-17(34(31,32)33)11-16(26-13-7-5-12(6-8-13)25-10-9-18(27)28)19-20(21)23(30)15-4-2-1-3-14(15)22(19)29/h1-8,11,25-26H,9-10,24H2,(H,27,28)(H,31,32,33)
• InChIKey: KHQMJGFYBHFROY-UHFFFAOYSA-N

Properties

• Density: 1.62g/cm³ (Cal.)