CAS 1185294-38-5

Hexanoic acid, 6-[(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-, ethanedioate (1:1)

Description:

Hexanoic acid, 6-[(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-, ethanedioate (1:1) is a chemical compound characterized by its unique structure, which includes a hexanoic acid moiety and an isoquinoline derivative. This compound features a long carbon chain, contributing to its hydrophobic properties, while the isoquinoline part introduces potential biological activity due to its nitrogen-containing heterocyclic structure. The presence of the ethanedioate (oxalate) component suggests the formation of a salt or ester, which may influence its solubility and reactivity. Typically, compounds of this nature may exhibit moderate to high melting points and may be soluble in organic solvents. The presence of both hydrophobic and hydrophilic groups can lead to interesting interactions in biological systems, making it a candidate for various applications in pharmaceuticals or agrochemicals. Additionally, the specific arrangement of functional groups can affect its reactivity and potential as a ligand in coordination chemistry. Overall, this compound's characteristics make it a subject of interest in both synthetic and applied chemistry contexts.

Formula: C₁₇H₂₄N₂O₂·C₂H₂O₄

InChI: InChI=1S/C17H24N2O2.C2H2O4/c1-17(2)12-13-8-5-6-9-14(13)16(19-17)18-11-7-3-4-10-15(20)21;3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,19)(H,20,21);(H,3,4)(H,5,6)

InChI key: InChIKey=FWOIFGUMISJPDB-UHFFFAOYSA-N

SMILES: N(CCCCCC(O)=O)C=1C=2C(CC(C)(C)N1)=CC=CC2.C(C(O)=O)(O)=O

Synonyms:

• Hexanoic acid, 6-[(3,4-dihydro-3,3-dimethyl-1-isoquinolinyl)amino]-, ethanedioate (1:1)