4-Methyl-5-Fluoro-2-Aminophenol-N,N,O-Triacetate
[CAS# 114199-96-1]

Identification

• Name: 4-Methyl-5-Fluoro-2-Aminophenol-N,N,O-Triacetate
• Synonyms: 2-[Carboxymethyl-[2-(Carboxymethyloxy)-4-Fluoro-5-Methyl-Phenyl]Amino]Acetic Acid; 2-[Carboxymethyl-[2-(Carboxymethyloxy)-4-Fluoro-5-Methyl-Phenyl]Amino]Ethanoic Acid; 4,5-Mf-Aptra
• Molecular Formula: C₁₃H₁₄FNO₇
• Molecular Weight: 315.25
• CAS Registry Number: 114199-96-1
• SMILES: C1=C(C)C(=CC(=C1N(CC(=O)O)CC(=O)O)OCC(=O)O)F
• InChI: 1S/C13H14FNO7/c1-7-2-9(15(4-11(16)17)5-12(18)19)10(3-8(7)14)22-6-13(20)21/h2-3H,4-6H2,1H3,(H,16,17)(H,18,19)(H,20,21)
• InChIKey: FHKUMSMYYZZFPK-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 565.287°C at 760 mmHg (Cal.)
• Flash point: 295.675°C (Cal.)