TL;DR: Lauryldimethyl-3,4-dichlorobenzylammonium (CAS 58390-78-6) is a chemical compound with molecular formula C21H36Cl2N+ and molecular weight 372.22247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4-dichlorophenyl)methyl-dodecyl-dimethylazanium
Also Known As: Lauryldimethyl-3,4-dichlorobenzylammonium, Ammonium, (3,4-dichlorobenzyl)dodecyldimethyl, Benzenemethanaminium, 3,4-dichloro-N-dodecyl-N,N-dimethyl-ammonium, (3,4-dichlorophenyl)methyl-dodecyl-dimethylazanium, 3,4-Dichloro-N-dodecyl-N,N-dimethylbenzenemethanaminium
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H36Cl2N+ |
| Molecular Weight | 372.22247 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 13 |
| Exact Mass | 372.22247 Da |
| Heavy Atoms | 24 |
| Complexity | 306.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | RZTDURBNLDNTQU-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that Lauryldimethyl-3,4-dichlorobenzylammonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Lauryldimethyl-3,4-dichlorobenzylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lauryldimethyl-3,4-dichlorobenzylammonium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Lauryldimethyl-3,4-dichlorobenzylammonium is 58390-78-6.
The molecular formula of Lauryldimethyl-3,4-dichlorobenzylammonium is C21H36Cl2N+.
The molecular weight of Lauryldimethyl-3,4-dichlorobenzylammonium is 372.22247 g/mol.
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