CAS 1258641-18-7

Benzoic acid, 2-amino-4,5-diethoxy-, hydrochloride (1:1)

Description:

Benzoic acid, 2-amino-4,5-diethoxy-, hydrochloride (1:1) is a chemical compound characterized by its amine and carboxylic acid functional groups, which contribute to its acidic and basic properties. The presence of two ethoxy groups enhances its solubility in organic solvents and may influence its reactivity. As a hydrochloride salt, it is typically more stable and soluble in water compared to its free base form. This compound may exhibit biological activity, potentially serving as a precursor in pharmaceutical synthesis or as a research chemical. Its molecular structure suggests that it could participate in hydrogen bonding, affecting its interactions with other molecules. The CAS number 1258641-18-7 uniquely identifies this substance, facilitating its recognition in chemical databases and literature. Safety data should be consulted for handling and storage, as compounds with amine and acid functionalities can pose risks such as irritation or toxicity. Overall, this compound's unique structural features make it of interest in both synthetic and medicinal chemistry contexts.

Formula: C₁₁H₁₅NO₄·ClH

InChI: InChI=1S/C11H15NO4.ClH/c1-3-15-9-5-7(11(13)14)8(12)6-10(9)16-4-2;/h5-6H,3-4,12H2,1-2H3,(H,13,14);1H

InChI key: InChIKey=CDPLSLZEVHETNS-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-amino-4,5-diethoxy-, hydrochloride (1:1)

2-Amino-4,5-diethoxybenzoic acid hydrochloride

CAS: 1258641-18-7

Versatile small molecule scaffold

Formula: C₁₁H₁₆ClNO₄

Purity: Min. 95%

Molecular weight: 261.7 g/mol

Ref: 3D-IAC64118