TL;DR: N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide (CAS 105996-43-8) is a chemical compound with molecular formula C18H24BrNO2 and molecular weight 365.09903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethyl-prop-2-enylazanium bromide
Also Known As: N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide, 2-Propen-1-aminium, N-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-, bromide, 2-Propen-1-aminium,N-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-N,N-dimethyl-, bromide (1:1), (2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethyl-prop-2-enylazanium bromide, (2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethyl-prop-2-enylazanium,bromide
| Molecular Formula | C18H24BrNO2 |
| Molecular Weight | 365.09903 g/mol |
| XLogP | -0.1541 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.09903 Da |
| Heavy Atoms | 22 |
| Complexity | 329.0 |
| SMILES | C[N+](C)(CC=C)CC(COC1=CC2=CC=CC=C2C=C1)O.[Br-] |
| InChIKey | PBEZIXSAYYZZNZ-UHFFFAOYSA-M |
The XLogP value of -0.1541 indicates that N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.5 Ų, N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide is 105996-43-8.
The molecular formula of N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide is C18H24BrNO2.
The molecular weight of N-(2-Hydroxy-3-(2-naphthalenyloxy)propyl)-N,N-dimethyl-2-propen-1-aminium bromide is 365.09903 g/mol.
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