CAS 1353956-59-8

1,4-Cyclohexanediamine, N1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)

Description:

1,4-Cyclohexanediamine, N1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1) is a chemical compound characterized by its amine functional groups and a chlorophenyl substituent. It features a cyclohexane ring with two amine groups located at the 1 and 4 positions, which contributes to its potential as a ligand in coordination chemistry. The presence of the 4-chlorobenzyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical applications. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, facilitating its use in various formulations. The compound may exhibit properties such as basicity due to the amine groups, and it can participate in hydrogen bonding, which is significant for its interactions in biological systems. Safety data should be consulted for handling, as amines can be irritants, and the chlorophenyl moiety may have specific regulatory considerations. Overall, this compound's unique structure positions it as a candidate for further research in medicinal chemistry and materials science.

Formula: C₁₃H₁₉ClN₂·ClH

InChI: InChI=1S/C13H19ClN2.ClH/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13;/h1-4,12-13,16H,5-9,15H2;1H

InChI key: InChIKey=QWQJAAVALUPVMP-UHFFFAOYSA-N

SMILES: C(NC1CCC(N)CC1)C2=CC=C(Cl)C=C2.Cl

Synonyms:

• 1,4-Cyclohexanediamine, N1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)

N1-(4-Chlorobenzyl)cyclohexane-1,4-diamine hydrochloride

CAS: 1353956-59-8

Formula: C₁₃H₂₀Cl₂N₂

Molecular weight: 275.2173

Ref: IN-DA00HU2U