CAS 20805-66-7

1-{4-[bis(2-chloroethyl)amino]phenyl}ethanone

Description:

1-{4-[bis(2-chloroethyl)amino]phenyl}ethanone, also known by its CAS number 20805-66-7, is a chemical compound characterized by its structure, which features a phenyl ring substituted with a bis(2-chloroethyl)amino group and an ethanone moiety. This compound is typically classified as an organic amine and is notable for its potential applications in medicinal chemistry, particularly in the development of anticancer agents. The presence of the chloroethyl groups suggests that it may exhibit alkylating properties, which can be significant in the context of its biological activity. The compound is likely to be a solid at room temperature and may have moderate solubility in organic solvents. Its reactivity can be influenced by the electron-withdrawing nature of the chloro groups, which can affect its interaction with biological targets. Safety considerations should be taken into account due to the presence of chlorine atoms, which can pose health risks upon exposure. Overall, this compound represents a class of chemicals that are of interest for their potential therapeutic applications.

Formula: C₁₂H₁₅Cl₂NO

InChI: InChI=1/C12H15Cl2NO/c1-10(16)11-2-4-12(5-3-11)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3

InChI key: KWFNQPQHPUCUAI-UHFFFAOYSA-N

SMILES: CC(=O)C1=CC=C(C=C1)N(CCCl)CCCl

Synonyms:

• Ethanone, 1-(4-(bis(2-chloroethyl)amino)phenyl)-
• 1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone

1-(4-(Bis(2-chloroethyl)amino)phenyl)ethanone

CAS: 20805-66-7

Formula: C₁₂H₁₅Cl₂NO

Molecular weight: 260.1596

Ref: IN-DA002JG8