CAS 1220036-40-7

Benzoic acid, 3-amino-4-[[3-(dimethylamino)propyl]amino]-, ethyl ester, hydrochloride (1:1)

Description:

Benzoic acid, 3-amino-4-[[3-(dimethylamino)propyl]amino]-, ethyl ester, hydrochloride (1:1) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety, an ethyl ester group, and a dimethylamino propyl chain. This compound is typically a white to off-white 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 presence of amino groups suggests potential basicity and reactivity, making it suitable for various applications in pharmaceuticals and organic synthesis. Its structure indicates that it may exhibit biological activity, potentially acting as a ligand or a precursor in drug development. The compound's CAS number, 1220036-40-7, allows for precise identification in chemical databases, facilitating research and regulatory compliance. As with many amine-containing compounds, it may also exhibit properties such as pH sensitivity and the ability to form salts, which can influence its stability and reactivity in different environments.

Formula: C₁₄H₂₃N₃O₂·ClH

InChI: InChI=1S/C14H23N3O2.ClH/c1-4-19-14(18)11-6-7-13(12(15)10-11)16-8-5-9-17(2)3;/h6-7,10,16H,4-5,8-9,15H2,1-3H3;1H

InChI key: InChIKey=LVPXKHCZSQEANM-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3-amino-4-[[3-(dimethylamino)propyl]amino]-, ethyl ester, hydrochloride (1:1)