CAS 1396962-45-0

Valine, N-[(3-chlorophenyl)methyl]-, hydrochloride (1:1)

Description:

Valine, N-[(3-chlorophenyl)methyl]-, hydrochloride (1:1) is a chemical compound that belongs to the class of amino acids, specifically a derivative of valine, which is one of the essential branched-chain amino acids. This compound features a chlorophenyl group attached to the nitrogen of the valine structure, which may influence its biological activity and properties. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in various applications, including pharmaceuticals and biochemistry. The presence of the 3-chlorophenyl group may impart specific pharmacological properties, making it of interest in medicinal chemistry. The compound's molecular structure includes both hydrophilic and hydrophobic regions, which can affect its interactions with biological systems. Additionally, it may exhibit characteristics such as stability under certain conditions, but specific reactivity and stability details would depend on the surrounding environment and formulation. Overall, this compound's unique structure suggests potential applications in drug development and research.

Formula: C₁₂H₁₆ClNO₂·ClH

InChI: InChI=1S/C12H16ClNO2.ClH/c1-8(2)11(12(15)16)14-7-9-4-3-5-10(13)6-9;/h3-6,8,11,14H,7H2,1-2H3,(H,15,16);1H

InChI key: InChIKey=XSXBXQVYEMNMCC-UHFFFAOYSA-N

SMILES: C(NCC1=CC(Cl)=CC=C1)(C(C)C)C(O)=O.Cl

Synonyms:

• Valine, N-[(3-chlorophenyl)methyl]-, hydrochloride (1:1)

2-{[(3-Chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride

CAS: 1396962-45-0

Versatile small molecule scaffold

Formula: C₁₂H₁₇Cl₂NO₂

Purity: Min. 95%

Molecular weight: 278.17 g/mol

Ref: 3D-WFC96245