CAS 104809-33-8

Butanoic acid, 4-[[(2-nitrophenyl)thio]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)

Description:

Butanoic acid, 4-[[(2-nitrophenyl)thio]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1), is a chemical compound characterized by its unique structure that includes a butanoic acid moiety and a 2-nitrophenyl thio group linked to an amino group. This compound features a cyclohexyl substituent, which contributes to its hydrophobic properties. The presence of the nitrophenyl group suggests potential for electronic interactions, making it interesting for applications in medicinal chemistry or as a potential ligand in coordination chemistry. The compound is likely to exhibit acidic properties due to the carboxylic acid functional group, while the amino component may impart basic characteristics. Its molecular interactions could be influenced by hydrogen bonding and steric effects from the cyclohexyl groups. Additionally, the compound may exhibit specific solubility characteristics depending on the solvent, influenced by its polar and non-polar regions. Overall, this compound's unique functional groups and structural features make it a candidate for further investigation in various chemical and biological contexts.

Formula: C₁₂H₂₃N·C₁₀H₁₂N₂O₄S

InChI: InChI=1S/C12H23N.C10H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-10(14)6-3-7-11-17-9-5-2-1-4-8(9)12(15)16/h11-13H,1-10H2;1-2,4-5,11H,3,6-7H2,(H,13,14)

InChI key: InChIKey=DWPCVLOTBKFZQB-UHFFFAOYSA-N

SMILES: S(NCCCC(O)=O)C1=C(N(=O)=O)C=CC=C1.N(C1CCCCC1)C2CCCCC2

Synonyms:

• NSC 319664
• Butanoic acid, 4-[[(2-nitrophenyl)thio]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)
• N-o-NPS-G-Aminobutyric acid, dicyclohexylammonium salt N-o-Nitrophenylsulfenyl-G-aminobutyric acid, dicyclohexylammonium salt