N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)-D-Alaninamide Trifluoroacetate (1:1)
[CAS# 201847-52-1]

Identification

• Name: N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)-D-Alaninamide Trifluoroacetate (1:1)
• Synonyms: A-4220; D-Alanine 7-amido-4-methylcoumarin, trifluoroacetate salt
• Molecular Formula: C₁₅H₁₅F₃N₂O₅
• Molecular Weight: 360.29
• CAS Registry Number: 201847-52-1
• SMILES: Cc1cc(=O)oc2c1ccc(c2)NC(=O)C(C)N.C(=O)(C(F)(F)F)O
• InChI: 1S/C13H14N2O3.C2HF3O2/c1-7-5-12(16)18-11-6-9(3-4-10(7)11)15-13(17)8(2)14;3-2(4,5)1(6)7/h3-6,8H,14H2,1-2H3,(H,15,17);(H,6,7)/t8-;/m1./s1
• InChIKey: YYGKKBUKGNFDJW-DDWIOCJRSA-N

Properties

• Boiling point: 562.4°C at 760 mmHg (Cal.)
• Flash point: 294°C (Cal.)
• Refractive index: (Cal.)