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CAS 116316-70-2

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Benzoic acid, 2-hydroxy-4-sulfo-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:1)

Description:
Benzoic acid, 2-hydroxy-4-sulfo-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.1^3,7]decane (1:1), commonly known as a complex of a sulfonated benzoic acid derivative and a tetraazatricyclo compound, exhibits unique chemical characteristics due to its structural components. The benzoic acid moiety contributes to its acidity and potential for hydrogen bonding, while the sulfonic acid group enhances its solubility in water and increases its reactivity. The tetraazatricyclo structure introduces a rigid framework that can influence the compound's stability and interaction with biological systems. This compound may exhibit properties such as antimicrobial activity, making it of interest in pharmaceutical applications. Additionally, the presence of multiple nitrogen atoms in the tetraazatricyclo structure can facilitate coordination with metal ions, potentially leading to applications in catalysis or materials science. Overall, the combination of these functional groups results in a compound with diverse chemical behavior and potential utility in various fields, including medicinal chemistry and materials development.
Formula:C7H6O6S·C6H12N4
InChI:InChI=1S/C7H6O6S.C6H12N4/c8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-3,8H,(H,9,10)(H,11,12,13);1-6H2
InChI key:InChIKey=FCSASSWBAVINBK-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=CC(O)=C(C(O)=O)C=C1.N12CN3CN(C1)CN(C2)C3
Synonyms:
  • Benzoic acid, 2-hydroxy-4-sulfo-, compd. with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane (1:1)
  • 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, mono(2-hydroxy-4-sulfobenzoate)
  • Urorost
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