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CAS 641569-96-2

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3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate

Description:
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate, identified by its CAS number 641569-96-2, is a chemical compound that features a complex structure incorporating an amino group, an imino group, and an ester functional group. This compound is characterized by its aromatic ring, which contributes to its stability and potential reactivity. The presence of the ethyl ester group suggests that it may exhibit solubility in organic solvents, while the mononitrate moiety indicates potential for nitrate-related reactivity, possibly influencing its pharmacological or explosive properties. The amino and imino functionalities may impart basic characteristics, allowing for interactions with various biological targets or chemical reagents. Overall, this compound's unique combination of functional groups suggests potential applications in medicinal chemistry or materials science, although specific properties such as melting point, boiling point, and solubility would require empirical determination. Safety and handling considerations should also be taken into account due to the presence of nitrate groups, which can be sensitive under certain conditions.
Formula:C11H16N4O5
InChI:InChI=1/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
SMILES:CCOC(=O)c1ccc(C)c(c1)NC(=N)N.N(=O)(=O)O
Synonyms:
  • 3-[(Aminoiminomethyl)amino]-4-methyl-benzoic acid ethyl ester mononitrate
  • Ethyl 3-Guanidino-4-Methylbenzoate Nitrate
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