3-[4-(Bis(2-Fluoroethyl)Amino)Phenyl]Propanoic Acid
[CAS# 4093-12-3]

Identification

• Name: 3-[4-(Bis(2-Fluoroethyl)Amino)Phenyl]Propanoic Acid
• Synonyms: 3-[4-(Bis(2-Fluoroethyl)Amino)Phenyl]Propionic Acid; Nciopen2_004789; Nsc83298
• Molecular Formula: C₁₃H₁₇F₂NO₂
• Molecular Weight: 257.28
• CAS Registry Number: 4093-12-3
• SMILES: C1=CC(=CC=C1N(CCF)CCF)CCC(O)=O
• InChI: 1S/C13H17F2NO2/c14-7-9-16(10-8-15)12-4-1-11(2-5-12)3-6-13(17)18/h1-2,4-5H,3,6-10H2,(H,17,18)
• InChIKey: VUFNDRFVBDIXGF-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 402.849°C at 760 mmHg (Cal.)
• Flash point: 197.436°C (Cal.)