CAS 1220037-84-2

1,3-Propanediamine, N3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N1,N1-dimethyl-, hydrochloride (1:1)

Description:

1,3-Propanediamine, N3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N1,N1-dimethyl-, hydrochloride (1:1), identified by CAS number 1220037-84-2, is a chemical compound characterized by its amine functional groups and a pyridine ring substituted with a chloro and trifluoromethyl group. This compound typically appears as a hydrochloride salt, which enhances its solubility in water and makes it suitable for various applications in pharmaceutical and chemical research. The presence of the trifluoromethyl group often contributes to the compound's lipophilicity and biological activity, potentially influencing its interaction with biological targets. The amine groups can participate in hydrogen bonding, which may affect its reactivity and stability. As a hydrochloride salt, it is likely to exhibit good thermal stability and may be used in synthesis or as an intermediate in the production of more complex molecules. Safety data should be consulted for handling and storage, as compounds with halogenated substituents can exhibit varying degrees of toxicity and environmental impact.

Formula: C₁₁H₁₅ClF₃N₃·ClH

InChI: InChI=1S/C11H15ClF3N3.ClH/c1-18(2)5-3-4-16-10-9(12)6-8(7-17-10)11(13,14)15;/h6-7H,3-5H2,1-2H3,(H,16,17);1H

InChI key: InChIKey=LMYJBHMKUWHTIT-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C(Cl)C(NCCCN(C)C)=NC1.Cl

Synonyms:

• 1,3-Propanediamine, N3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N1,N1-dimethyl-, hydrochloride (1:1)