CAS 1185302-14-0

Benzoic acid, 3-[(dimethylamino)methyl]-4-ethoxy-, hydrochloride (1:1)

Description:

Benzoic acid, 3-[(dimethylamino)methyl]-4-ethoxy-, hydrochloride (1:1) is a chemical compound characterized by its benzoic acid backbone modified with a dimethylaminomethyl group and an ethoxy substituent. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the hydrochloride salt form, which enhances its solubility compared to the free base. The dimethylamino group contributes to its basicity, while the ethoxy group may influence its lipophilicity and overall reactivity. This compound may exhibit biological activity, potentially serving as an intermediate in pharmaceutical synthesis or as a reagent in organic chemistry. Its properties, such as melting point, boiling point, and specific reactivity, would depend on the precise conditions and the presence of other functional groups. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₂H₁₇NO₃·ClH

InChI: InChI=1S/C12H17NO3.ClH/c1-4-16-11-6-5-9(12(14)15)7-10(11)8-13(2)3;/h5-7H,4,8H2,1-3H3,(H,14,15);1H

InChI key: InChIKey=OKXJWRYREWZDMH-UHFFFAOYSA-N

SMILES: C(N(C)C)C1=C(OCC)C=CC(C(O)=O)=C1.Cl

Synonyms:

• Benzoic acid, 3-[(dimethylamino)methyl]-4-ethoxy-, hydrochloride (1:1)