CAS 1286273-75-3

1,4-Cyclohexanediamine, N1-[(3-bromophenyl)methyl]-, hydrochloride (1:2), trans-

Description:

1,4-Cyclohexanediamine, N1-[(3-bromophenyl)methyl]-, hydrochloride (1:2), trans- is a chemical compound characterized by its specific structural features and functional groups. It contains a cyclohexane ring with two amine groups at the 1 and 4 positions, which contributes to its potential as a ligand in coordination chemistry. The presence of a bromophenyl group introduces aromatic characteristics and enhances its reactivity, particularly in electrophilic substitution reactions. The hydrochloride form indicates that the compound is a salt, which typically enhances its solubility in water and may influence its biological activity. The trans configuration suggests that the substituents on the cyclohexane ring are positioned opposite each other, which can affect the compound's steric properties and overall stability. This compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its amine functionality and ability to form hydrogen bonds. As with many amines, it may exhibit basic properties and can participate in various chemical reactions, including acylation and alkylation.

Formula: C₁₃H₁₉BrN₂·2ClH

InChI: InChI=1/C13H19BrN2.2ClH/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13;;/h1-3,8,12-13,16H,4-7,9,15H2;2*1H/t12-,13-;;

InChI key: InChIKey=OWHFBWBYAZRQLH-MQQSYLBWNA-N

SMILES: N(CC1=CC(Br)=CC=C1)[C@H]2CC[C@H](N)CC2.Cl

Synonyms:

• 1,4-Cyclohexanediamine, N1-[(3-bromophenyl)methyl]-, hydrochloride (1:2), trans-

(1R*,4R*)-N1-(3-Bromobenzyl)cyclohexane-1,4-diamine dihydrochloride

CAS: 1286273-75-3

Formula: C₁₃H₂₁BrCl₂N₂

Molecular weight: 356.13

Ref: 10-F097493