TL;DR: 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride (CAS 1246-10-2) is a chemical compound with molecular formula C22H30Cl4N2 and molecular weight 462.1163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
Also Known As: 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride, N,N'-Bis(3-chlorobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride, Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(3-chloro-, dihydrochloride, N,N'-(1,4-Cyclohexylenedimethylene)bis(3-chlorobenzylamine) dihydrochloride, cyclohexane-1,4-diylbis[n-(3-chlorobenzyl)methanamine] dihydrochloride
| Molecular Formula | C22H30Cl4N2 |
| Molecular Weight | 462.1163 g/mol |
| XLogP | 6.52 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.11337 Da |
| Heavy Atoms | 28 |
| Complexity | 348.0 |
| SMILES | C1CC(CCC1CNCC2=CC(=CC=C2)Cl)CNCC3=CC(=CC=C3)Cl.Cl.Cl |
| InChIKey | RSCWQVUKFNSOHT-UHFFFAOYSA-N |
The XLogP value of 6.52 indicates that 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride is 1246-10-2.
The molecular formula of 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride is C22H30Cl4N2.
The molecular weight of 1,4-Cyclohexanebis(methylamine), N,N'-bis(3-chlorobenzyl)-, dihydrochloride is 462.1163 g/mol.
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