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CAS 1255717-85-1

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1H-1,4-Diazepine, hexahydro-1-(3-phenylpropyl)-, 4-methylbenzenesulfonate (1:2)

Description:
1H-1,4-Diazepine, hexahydro-1-(3-phenylpropyl)-, 4-methylbenzenesulfonate (1:2) is a chemical compound characterized by its complex structure, which includes a diazepine ring and a sulfonate group. The diazepine moiety contributes to its potential biological activity, as compounds containing this ring are often associated with various pharmacological effects, including anxiolytic and anticonvulsant properties. The presence of the 3-phenylpropyl substituent suggests that the compound may exhibit lipophilic characteristics, potentially influencing its solubility and permeability in biological systems. The 4-methylbenzenesulfonate portion indicates that the compound may have ionic properties, which can affect its interaction with other molecules. Overall, this compound's unique structural features may lead to interesting applications in medicinal chemistry, although specific biological activities and safety profiles would require further investigation through empirical studies. As with any chemical substance, proper handling and safety precautions are essential due to potential toxicity or reactivity.
Formula:C14H22N2·2C7H8O3S
InChI:InChI=1S/C14H22N2.C7H8O3S/c1-2-6-14(7-3-1)8-4-11-16-12-5-9-15-10-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,15H,4-5,8-13H2;2-5H,1H3,(H,8,9,10)
InChI key:InChIKey=DDNFHAHEZRFSLD-UHFFFAOYSA-N
SMILES:C(CCN1CCCNCC1)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC=C(C)C=C1
Synonyms:
  • 1H-1,4-Diazepine, hexahydro-1-(3-phenylpropyl)-, 4-methylbenzenesulfonate (1:2)
  • 1-(3-phenylpropyl)-1,4-diazepane bis(p-toluenesulfonate)
  • 1-(3-phenylpropyl)-1,4-diazepane bis(4-methylbenzenesulfonate)
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