2-[[2-[(E)-2-[8-(Bis(Carboxymethyl)Amino)-6-Fluoroquinolin-2-Yl]Ethenyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 137550-81-3]

Identification

• Name: 2-[[2-[(E)-2-[8-(Bis(Carboxymethyl)Amino)-6-Fluoroquinolin-2-Yl]Ethenyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[(E)-2-[8-(Bis(Carboxymethyl)Amino)-6-Fluoro-2-Quinolyl]Vinyl]Phenyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[(E)-2-[8-(Bis(Carboxymethyl)Amino)-6-Fluoro-Quinolin-2-Yl]Ethenyl]Phenyl]-(Carboxymethyl)Amino]Ethanoic Acid; F-Quene 1
• Molecular Formula: C₂₅H₂₂FN₃O₈
• Molecular Weight: 511.46
• CAS Registry Number: 137550-81-3
• SMILES: C2=C(N(CC(=O)O)CC(=O)O)C1=NC(=CC=C1C=C2F)\C=C\C3=CC=CC=C3N(CC(=O)O)CC(=O)O
• InChI: 1S/C25H22FN3O8/c26-17-9-16-6-8-18(27-25(16)20(10-17)29(13-23(34)35)14-24(36)37)7-5-15-3-1-2-4-19(15)28(11-21(30)31)12-22(32)33/h1-10H,11-14H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)/b7-5+
• InChIKey: MUDPZZLINDYVTG-FNORWQNLSA-N

Properties

• Density: 1.575g/cm³ (Cal.)
• Boiling point: 838.996°C at 760 mmHg (Cal.)
• Flash point: 461.208°C (Cal.)