CAS 1187931-64-1

Benzoic acid, 4-[[[3-(dimethylamino)propyl]methylamino]methyl]-, hydrochloride (1:2)

Description:

Benzoic acid, 4-[[[3-(dimethylamino)propyl]methylamino]methyl]-, hydrochloride (1:2) is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a dimethylamino propyl group. 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 presence of the dimethylamino group suggests potential basic properties, while the benzoic acid component may impart weak acidic characteristics. This compound may exhibit biological activity, making it of interest in pharmaceutical applications. Its molecular structure allows for various interactions, including hydrogen bonding, which can influence its reactivity and stability. As with many hydrochloride salts, it is likely to be hygroscopic, meaning it can absorb moisture from the air. Safety data should be consulted for handling and potential toxicity, as compounds with amine groups can sometimes pose risks in terms of irritation or sensitization.

Formula: C₁₄H₂₂N₂O₂·2ClH

InChI: InChI=1S/C14H22N2O2.2ClH/c1-15(2)9-4-10-16(3)11-12-5-7-13(8-6-12)14(17)18;;/h5-8H,4,9-11H2,1-3H3,(H,17,18);2*1H

InChI key: InChIKey=IIURKQAZGLGLNR-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[[[3-(dimethylamino)propyl]methylamino]methyl]-, hydrochloride (1:2)