[3,5-Bis(Trifluoromethyl)Phenyl]Methyl (2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoate
[CAS# 148451-96-1]

Identification

• Name: [3,5-Bis(Trifluoromethyl)Phenyl]Methyl (2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoate
• Synonyms: (2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propanoic Acid [3,5-Bis(Trifluoromethyl)Phenyl]Methyl Ester; (2S)-2-Acetamido-3-(1H-Indol-3-Yl)Propionic Acid [3,5-Bis(Trifluoromethyl)Benzyl] Ester; 3,5-Bis(Tfm)Bz Nactrp
• Molecular Formula: C₂₂H₁₈F₆N₂O₃
• Molecular Weight: 472.39
• CAS Registry Number: 148451-96-1
• SMILES: [C@H](NC(=O)C)(CC1=C[NH]C2=C1C=CC=C2)C(OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)=O
• InChI: 1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
• InChIKey: BYYQYXVAWXAYQC-IBGZPJMESA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 554.071°C at 760 mmHg (Cal.)
• Flash point: 288.892°C (Cal.)