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CAS 88606-96-6

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1-Butanone, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-, (2Z)-2-butenedioate (1:1) (salt)

Description:
1-Butanone, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-, (2Z)-2-butenedioate (1:1) (salt), with CAS number 88606-96-6, is a complex organic compound characterized by its unique structural features. It contains a butanone moiety, which is a ketone known for its solvent properties and moderate volatility. The presence of a fluorophenyl group suggests potential applications in pharmaceuticals or agrochemicals, as fluorinated compounds often exhibit enhanced biological activity. The molecule also includes a dimethylamino group, which can influence its solubility and reactivity. The (2Z)-2-butenedioate component indicates the presence of a conjugated diene system, which may contribute to its chemical reactivity and stability. Overall, this compound is likely to exhibit polar characteristics due to the hydroxyl and amino groups, making it soluble in polar solvents. Its complex structure may also suggest specific interactions in biological systems, warranting further investigation into its potential applications in medicinal chemistry or material science.
Formula:C17H26FNO3·C4H4O4
InChI:InChI=1S/C17H26FNO3.C4H4O4/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4;5-3(6)1-2-4(7)8/h7-9,13,19-20H,5-6,10-11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI key:InChIKey=XAFHIGHFTQNWCF-BTJKTKAUSA-N
SMILES:C(CCC)(=O)C1=C(OCC(CNC(C)(C)C)O)C=CC(F)=C1.C(=C\C(O)=O)\C(O)=O
Synonyms:
  • 1-Butanone, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-, (2Z)-2-butenedioate (1:1) (salt)
  • 1-Butanone, 1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-, (±)-, (Z)-2-butenedioate (1:1) (salt)
  • 1-[5-Fluoro-2-[2-hydroxy-3-(tert-butylamino)propoxy]phenyl]butan-1-one maleate
  • Butofilolol maleate
  • Cafide
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