CAS 1286274-97-2

1,4-Cyclohexanediamine, N1-[(4-bromophenyl)methyl]-, hydrochloride (1:2), trans-

Description:

1,4-Cyclohexanediamine, N1-[(4-bromophenyl)methyl]-, hydrochloride (1:2), trans- is a chemical compound characterized by its structure, which includes a cyclohexane ring with two amine groups at the 1 and 4 positions, and a bromophenyl group attached to one of the amine nitrogens. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its reactivity and stability. The trans configuration indicates that the substituents on the cyclohexane ring are positioned opposite each other, which can affect the compound's physical properties, such as melting point and boiling point. The presence of the bromine atom in the phenyl group introduces additional reactivity, making it useful in various chemical syntheses and applications, including pharmaceuticals and materials science. As with many amines, it may exhibit basic properties and can participate in various chemical reactions, including nucleophilic substitutions and complexation with metal ions. Safety data should be consulted for handling and potential hazards associated with this compound.

Formula: C₁₃H₁₉BrN₂·2ClH

InChI: InChI=1/C13H19BrN2.2ClH/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;2*1H/t12-,13-;;

InChI key: InChIKey=WUEHFLAAAUXQLI-MQQSYLBWNA-N

SMILES: C(N[C@H]1CC[C@H](N)CC1)C2=CC=C(Br)C=C2.Cl

Synonyms:

• 1,4-Cyclohexanediamine, N1-[(4-bromophenyl)methyl]-, hydrochloride (1:2), trans-

(1R*,4R*)-N1-(4-Bromobenzyl)cyclohexane-1,4-diamine dihydrochloride

CAS: 1286274-97-2

Formula: C₁₃H₂₁BrCl₂N₂

Molecular weight: 356.13

Ref: 10-F097462