TL;DR: Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) (CAS 65059-92-9) is a chemical compound with molecular formula C31H58ClNO2 and molecular weight 511.41562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-bis(2-hydroxypropyl)-octadecylazanium chloride
Also Known As: benzylbis octadecylammoniumchloride, Benzylbis(2-hydroxypropyl)octadecylammonium chloride, Ammonium, benzylbis(2-hydroxypropyl)octadecyl-, chloride, n-benzyl-n,n-bis(2-hydroxypropyl)octadecan-1-aminium chloride, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride
| Molecular Formula | C31H58ClNO2 |
| Molecular Weight | 511.41562 g/mol |
| XLogP | 5.03 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 23 |
| Exact Mass | 511.41562 Da |
| Heavy Atoms | 35 |
| Complexity | 425.0 |
| SMILES | CCCCCCCCCCCCCCCCCC[N+](CC1=CC=CC=C1)(CC(C)O)CC(C)O.[Cl-] |
| InChIKey | WZQBRQMVLLLQII-UHFFFAOYSA-M |
The XLogP value of 5.03 indicates that Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) is 65059-92-9.
The molecular formula of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) is C31H58ClNO2.
The molecular weight of Benzenemethanaminium, N,N-bis(2-hydroxypropyl)-N-octadecyl-, chloride (1:1) is 511.41562 g/mol.
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