TL;DR: Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride (CAS 132684-36-7) is a chemical compound with molecular formula C36H51Cl3N6O3 and molecular weight 720.30884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[2-[[4,6-bis[2-[benzyl(dimethyl)azaniumyl]ethoxy]-1,3,5-triazin-2-yl]oxy]ethyl]-dimethylazanium trichloride
Also Known As: Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride, 2,2',2''-[1,3,5-Triazine-2,4,6-triyltris(oxy)]tris(N-benzyl-N,N-dimethylethan-1-aminium) trichloride, benzyl-[2-[[4,6-bis[2-[benzyl(dimethyl)azaniumyl]ethoxy]-1,3,5-triazin-2-yl]oxy]ethyl]-dimethylazanium trichloride
| Molecular Formula | C36H51Cl3N6O3 |
| Molecular Weight | 720.30884 g/mol |
| XLogP | -4.1502 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 720.30884 Da |
| Heavy Atoms | 48 |
| Complexity | 692.0 |
| SMILES | C[N+](C)(CCOC1=NC(=NC(=N1)OCC[N+](C)(C)CC2=CC=CC=C2)OCC[N+](C)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-].[Cl-].[Cl-] |
| InChIKey | YFEINTCHYORYCR-UHFFFAOYSA-K |
The XLogP value of -4.1502 indicates that Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride is 132684-36-7.
The molecular formula of Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride is C36H51Cl3N6O3.
The molecular weight of Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-dimethyl-, trichloride is 720.30884 g/mol.
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