CAS 2245840-94-0

Cyclohexaneacetic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1), trans-

Description:

Cyclohexaneacetic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1), trans- is a chemical compound characterized by its structural features that include a cyclohexane ring and an acetic acid moiety. The presence of an aminomethyl group indicates that it has an amine functional group, which can participate in hydrogen bonding and may influence its solubility and reactivity. As a hydrochloride salt, it is likely to be more soluble in water compared to its free base form, making it suitable for various applications in pharmaceuticals or biochemistry. The trans configuration suggests specific stereochemical properties that can affect its biological activity and interactions with other molecules. This compound may exhibit properties typical of both carboxylic acids and amines, such as potential acidity and basicity, which can be relevant in drug design and synthesis. Overall, its unique structure and functional groups contribute to its potential utility in medicinal chemistry and related fields.

Formula: C₁₀H₁₉NO₂·ClH

InChI: InChI=1/C10H19NO2.ClH/c1-13-10(12)6-8-2-4-9(7-11)5-3-8;/h8-9H,2-7,11H2,1H3;1H/t8-,9-;

InChI key: InChIKey=UQBSTANBEVIGDT-JUAUBFSONA-N

SMILES: C(C(OC)=O)[C@@H]1CC[C@@H](CN)CC1.Cl

Synonyms:

• Cyclohexaneacetic acid, 4-(aminomethyl)-, methyl ester, hydrochloride (1:1), trans-

Methyl 2-[(1R,4R)-4-(aminomethyl)cyclohexyl]acetate hydrochloride

CAS: 2245840-94-0

Versatile small molecule scaffold

Formula: C₁₀H₂₀ClNO₂

Purity: Min. 95%

Molecular weight: 221.7 g/mol

Ref: 3D-VPD84094