TL;DR: n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine (CAS 108896-78-2) is a chemical compound with molecular formula C16H18Cl2N2 and molecular weight 308.08472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine
Also Known As: Ticlopidine Impurity J, n,n'-bis(2-chlorobenzyl)ethane-1,2-diamine, Ticlopidine EP Impurity J, N,N'-Bis(o-chlorobenzyl)ethylenediamine, N,N'-bis[(2-chlorophenyl)methyl]ethane-1,2-diamine
| Molecular Formula | C16H18Cl2N2 |
| Molecular Weight | 308.08472 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.08472 Da |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
| SMILES | C1=CC=C(C(=C1)CNCCNCC2=CC=CC=C2Cl)Cl |
| InChIKey | ULNAUYKDNNUELJ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is 108896-78-2.
The molecular formula of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is C16H18Cl2N2.
The molecular weight of n,n'-Bis(2-chlorobenzyl)ethane-1,2-diamine is 308.08472 g/mol.
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