N-[2-Oxo-4-(Trifluoromethyl)-2H-Chromen-7-Yl]-L-Alaninamide Trifluoroacetate (1:1)
[CAS# 201847-57-6]

Identification

• Name: N-[2-Oxo-4-(Trifluoromethyl)-2H-Chromen-7-Yl]-L-Alaninamide Trifluoroacetate (1:1)
• Synonyms: A-4498; L-Alanine 7-amido-4-(trifluoromethyl)coumarin, trifluoroacetate salt
• Molecular Formula: C₁₅H₁₂F₆N₂O₅
• Molecular Weight: 414.26
• CAS Registry Number: 201847-57-6
• SMILES: CC(C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F)N.C(=O)(C(F)(F)F)O
• InChI: 1S/C13H11F3N2O3.C2HF3O2/c1-6(17)12(20)18-7-2-3-8-9(13(14,15)16)5-11(19)21-10(8)4-7;3-2(4,5)1(6)7/h2-6H,17H2,1H3,(H,18,20);(H,6,7)/t6-;/m0./s1
• InChIKey: HAGLUJXYGFQWBT-RGMNGODLSA-N

Properties

• Boiling point: 516.2°C at 760 mmHg (Cal.)
• Flash point: 266°C (Cal.)
• Refractive index: (Cal.)