structure of 2-[(2-Chloroethyl)aMino]ethyl benzoate HCl

2-[(2-Chloroethyl)aMino]ethyl benzoate HCl

CAS No.: 100129-68-8
M. Wt: 264.14800
M. Fa: C11H15Cl2NO2
InChI Key: -

Names and Identifiers of 100129-68-8

CAS Number

100129-68-8

IUPAC Name

2-(2-chloroethylamino)ethyl benzoate;hydrochloride

Canonical SMILES

C1=CC=C(C=C1)C(=O)OCCNCCCl.Cl

Physical and chemical properties of 100129-68-8

Exact Mass

263.04800

LogP

2.86470

Molecular Formula

C11H15Cl2NO2

Molecular Weight

264.14800

PSA

38.33000

Applications of 100129-68-8

2-[(2-Chloroethyl)amino]ethyl benzoate hydrochloride has various applications in:

  • Pharmaceuticals: It serves as a potential lead compound for developing anticancer drugs due to its structural similarities with known alkylating agents.
  • Chemical Research: It is utilized in synthetic organic chemistry for exploring new

Interaction Studies of 100129-68-8

Research into the interactions of 2-[(2-Chloroethyl)amino]ethyl benzoate hydrochloride with biological molecules is ongoing. Initial findings indicate that it may interact with DNA, potentially leading to cross-linking effects that inhibit replication and transcription processes. Studies using cell lines have shown promising results regarding its cytotoxic effects against certain cancer types, suggesting that further investigation into its mechanism of action could provide insights into new therapeutic strategies.