CAS 1240527-20-1

Benzoic acid, 4-[[ethyl(1-methylethyl)amino]methyl]-, hydrochloride (1:1)

Description:

Benzoic acid, 4-[[ethyl(1-methylethyl)amino]methyl]-, hydrochloride (1:1) is a chemical compound characterized by its structure, which includes a benzoic acid moiety substituted with an ethyl group and a branched alkyl amino group. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its biological activity. The presence of the amino group suggests potential basic properties, while the benzoic acid component contributes to its acidity. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its molecular interactions could involve hydrogen bonding due to the carboxylic acid group, and it may participate in various chemical reactions typical of amines and carboxylic acids. Safety data and handling precautions should be considered, as with any chemical substance, particularly in terms of its potential toxicity and environmental impact. Overall, this compound's unique structure and properties make it a subject of interest in both research and application contexts.

Formula: C₁₃H₁₉NO₂·ClH

InChI: InChI=1S/C13H19NO2.ClH/c1-4-14(10(2)3)9-11-5-7-12(8-6-11)13(15)16;/h5-8,10H,4,9H2,1-3H3,(H,15,16);1H

InChI key: InChIKey=IZWAPTOYUOCZGX-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[[ethyl(1-methylethyl)amino]methyl]-, hydrochloride (1:1)

4-{[Ethyl(propan-2-yl)amino]methyl}benzoic acid hydrochloride

CAS: 1240527-20-1

Versatile small molecule scaffold

Formula: C₁₃H₂₀ClNO₂

Purity: Min. 95%

Molecular weight: 257.75 g/mol

Ref: 3D-QZB52720