TL;DR: 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide (CAS 1049691-58-8) is a chemical compound with molecular formula C22H34Br2N2 and molecular weight 484.10886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(2-phenylethyl)hexane-1,6-diamine;dihydrobromide
Also Known As: NIOSH/MO1345000, N,N'-Diphenethyl-1,6-hexanediamine dihydrobromide, N,N'-diphenethylhexane-1,6-diamine dihydrobromide, 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide, 1,6-Hexanediamine, N,N'-diphenethyl-, dihydrobromide
| Molecular Formula | C22H34Br2N2 |
| Molecular Weight | 484.10886 g/mol |
| XLogP | 5.3672 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 484.10886 Da |
| Heavy Atoms | 26 |
| Complexity | 239.0 |
| SMILES | C1=CC=C(C=C1)CCNCCCCCCNCCC2=CC=CC=C2.Br.Br |
| InChIKey | NUYNFRBBCPKKOA-UHFFFAOYSA-N |
The XLogP value of 5.3672 indicates that 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide is 1049691-58-8.
The molecular formula of 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide is C22H34Br2N2.
The molecular weight of 1,6-Bis(beta-phenylethylamino)hexane dihydrobromide is 484.10886 g/mol.
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