(2S)-2-Amino-3-[6-(Difluoromethyl)-1H-Indol-3-Yl]Propanoic Acid
[CAS# 131490-35-2]

Identification

• Name: (2S)-2-Amino-3-[6-(Difluoromethyl)-1H-Indol-3-Yl]Propanoic Acid
• Synonyms: (2S)-2-Amino-3-[6-(Difluoromethyl)-1H-Indol-3-Yl]Propionic Acid; 6-(Difluoromethyl)Tryptophan; 6-Df-Trp
• Molecular Formula: C₁₂H₁₂F₂N₂O₂
• Molecular Weight: 254.24
• CAS Registry Number: 131490-35-2
• SMILES: [C@H](C(=O)O)(N)CC1=C[NH]C2=CC(=CC=C12)C(F)F
• InChI: 1S/C12H12F2N2O2/c13-11(14)6-1-2-8-7(3-9(15)12(17)18)5-16-10(8)4-6/h1-2,4-5,9,11,16H,3,15H2,(H,17,18)/t9-/m0/s1
• InChIKey: QKEFAXHAMIYOLM-VIFPVBQESA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 465.674°C at 760 mmHg (Cal.)
• Flash point: 235.432°C (Cal.)