4-({2-[Bis(2-Pyridinylmethyl)Amino]Ethyl}Amino)-2-(2,7-Difluoro-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid
[CAS# 443302-09-8]

Identification

• Name: 4-({2-[Bis(2-Pyridinylmethyl)Amino]Ethyl}Amino)-2-(2,7-Difluoro-6-Hydroxy-3-Oxo-3H-Xanthen-9-Yl)Benzoic Acid
• Synonyms: 6-{2-[Bis(2-pyridylmethyl)amino]ethylamino}-2′,7′-difluorofluorescein; ZnAF-2F; 90916_FLUKA
• Molecular Formula: C₃₄H₂₆F₂N₄O₅
• Molecular Weight: 608.59
• CAS Registry Number: 443302-09-8
• SMILES: O=C(O)c6ccc(NCCN(Cc1ncccc1)Cc2ncccc2)cc6C=3c5c(OC=4C=3\C=C(\F)C(=O)C=4)cc(O)c(F)c5
• InChI: 1S/C34H26F2N4O5/c35-27-14-25-31(16-29(27)41)45-32-17-30(42)28(36)15-26(32)33(25)24-13-20(7-8-23(24)34(43)44)39-11-12-40(18-21-5-1-3-9-37-21)19-22-6-2-4-10-38-22/h1-10,13-17,39,41H,11-12,18-19H2,(H,43,44)
• InChIKey: HPADXJLXFKDPBV-UHFFFAOYSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 825.644°C at 760 mmHg (Cal.)
• Flash point: 453.133°C (Cal.)
• Refractive index: 1.715 (Cal.)
• solubility: DMSO