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CAS 37842-58-3

:

ethyl 3-nitriloalaninate 4-methylbenzenesulfonate (1:1)

Description:
Ethyl 3-nitriloalaninate 4-methylbenzenesulfonate (1:1), with the CAS number 37842-58-3, is a chemical compound that features a complex structure combining an ethyl ester, a nitrile group, and a sulfonate moiety. This compound typically exhibits characteristics associated with both its functional groups and its molecular structure. The presence of the ethyl group suggests it is likely a liquid at room temperature, while the sulfonate group can impart water solubility and enhance its reactivity. The nitrile group may contribute to the compound's polarity and potential for hydrogen bonding. Additionally, the 4-methylbenzenesulfonate portion can influence the compound's aromatic properties, potentially affecting its stability and interaction with other molecules. Overall, this compound may be of interest in various chemical applications, including pharmaceuticals and agrochemicals, due to its unique combination of functional groups that can facilitate diverse chemical reactions and interactions. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C12H16N2O5S
InChI:InChI=1/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3
SMILES:Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
Synonyms:
  • Alanine, 3-nitrilo-, ethyl ester, 4-methylbenzenesulfonate (1:1)
  • Aminocyanoacetic acid ethyl ester p-toluenesulfonate
  • Ethyl 3-nitriloalaninate 4-methylbenzenesulfonate
  • Ethyl 3-nitriloalanine 4-methylbenzenesulfonate (1:1)
  • NCYZVO2 & & p-TOSOH [WLN]
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