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CAS 1286265-58-4

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Benzoic acid, 3-[[(trans-4-aminocyclohexyl)amino]methyl]-, methyl ester, hydrochloride (1:2)

Description:
Benzoic acid, 3-[[(trans-4-aminocyclohexyl)amino]methyl]-, methyl ester, hydrochloride (1:2) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, an amino group, and a methyl ester functional group. This compound is typically a white to off-white solid and is soluble in water due to the presence of the hydrochloride salt form. The presence of the trans-4-aminocyclohexyl group suggests potential biological activity, possibly related to its interaction with various receptors or enzymes. The methyl ester enhances lipophilicity, which may influence its pharmacokinetic properties. As a hydrochloride salt, it is likely to exhibit improved stability and solubility compared to its free base form. This compound may be of interest in medicinal chemistry and pharmaceutical applications, particularly in the development of therapeutic agents. However, specific safety and handling information should be consulted from material safety data sheets (MSDS) or relevant literature, as with any chemical substance.
Formula:C15H22N2O2·2ClH
InChI:InChI=1/C15H22N2O2.2ClH/c1-19-15(18)12-4-2-3-11(9-12)10-17-14-7-5-13(16)6-8-14;;/h2-4,9,13-14,17H,5-8,10,16H2,1H3;2*1H/t13-,14-;;
InChI key:InChIKey=RBDBTIAHHIDYOW-MXPSUWBQNA-N
SMILES:C(N[C@H]1CC[C@H](N)CC1)C2=CC(C(OC)=O)=CC=C2.Cl
Synonyms:
  • Benzoic acid, 3-[[(trans-4-aminocyclohexyl)amino]methyl]-, methyl ester, hydrochloride (1:2)
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