TL;DR: p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride (CAS 2743-09-1) is a chemical compound with molecular formula C11H15BrCl3N and molecular weight 344.94534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-bromophenyl)methyl-bis(2-chloroethyl)azanium chloride
Also Known As: p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride, p-Bromo-N,N-bis(2-chloroethyl)benzylamine hydrochloride, (4-bromophenyl)methyl-bis(2-chloroethyl)azanium chloride, BENZYLAMINE, p-BROMO-N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE
| Molecular Formula | C11H15BrCl3N |
| Molecular Weight | 344.94534 g/mol |
| XLogP | -0.68 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.94534 Da |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
| SMILES | C1=CC(=CC=C1C[NH+](CCCl)CCCl)Br.[Cl-] |
| InChIKey | NGKMSMLGHJHVIV-UHFFFAOYSA-N |
The XLogP value of -0.68 indicates that p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride is 2743-09-1.
The molecular formula of p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride is C11H15BrCl3N.
The molecular weight of p-Bromo-di-(2-chloroethyl)-benzylamine hydrochloride is 344.94534 g/mol.
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