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CAS 1609400-19-2

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4-Quinolinecarboxylic acid, 2,3,6-trimethyl-, hydrate (1:2)

Description:
4-Quinolinecarboxylic acid, 2,3,6-trimethyl-, hydrate (1:2) is a chemical compound characterized by its quinoline structure, which features a bicyclic aromatic system containing a nitrogen atom. This compound is a derivative of quinoline with a carboxylic acid functional group and three methyl groups at the 2, 3, and 6 positions, contributing to its unique properties. The presence of the hydrate indicates that it forms a crystalline structure that includes water molecules in its lattice, which can influence its solubility and stability. Typically, compounds of this nature exhibit moderate to high solubility in polar solvents due to the carboxylic acid group, while the aromatic system may provide hydrophobic characteristics. The compound may also exhibit biological activity, potentially serving as a precursor in the synthesis of pharmaceuticals or agrochemicals. Its specific applications and reactivity would depend on the functional groups present and the overall molecular structure, making it a subject of interest in both organic synthesis and medicinal chemistry.
Formula:C13H13NO2·2H2O
InChI:InChI=1S/C13H13NO2.2H2O/c1-7-4-5-11-10(6-7)12(13(15)16)8(2)9(3)14-11;;/h4-6H,1-3H3,(H,15,16);2*1H2
InChI key:InChIKey=VSVMTXYHRJIIQB-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C2=C(N=C(C)C1C)C=CC(C)=C2.O
Synonyms:
  • 4-Quinolinecarboxylic acid, 2,3,6-trimethyl-, hydrate (1:2)
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