TL;DR: Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride (CAS 1023-23-0) is a chemical compound with molecular formula C13H14BrClN2O and molecular weight 327.9978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5-bromopyridin-1-ium-2-yl)amino]-1-phenylethanol chloride
Also Known As: alpha-(((5-Bromo-2-pyridyl)amino)methyl)benzyl alcohol hydrochloride, BENZYL ALCOHOL, alpha-(((5-BROMO-2-PYRIDYL)AMINO)METHYL)-, HYDROCHLORIDE, 2-[(5-bromopyridin-1-ium-2-yl)amino]-1-phenylethanol chloride
| Molecular Formula | C13H14BrClN2O |
| Molecular Weight | 327.9978 g/mol |
| XLogP | -0.59 |
| Topological Polar Surface Area (TPSA) | 46.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.9978 Da |
| Heavy Atoms | 18 |
| Complexity | 221.0 |
| SMILES | C1=CC=C(C=C1)C(CNC2=[NH+]C=C(C=C2)Br)O.[Cl-] |
| InChIKey | AEYAFLLUOYZNOO-UHFFFAOYSA-N |
The XLogP value of -0.59 indicates that Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.4 Ų, Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride has 3 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 Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride is 1023-23-0.
The molecular formula of Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride is C13H14BrClN2O.
The molecular weight of Benzyl alcohol, alpha-(((5-bromo-2-pyridyl)amino)methyl)-, hydrochloride is 327.9978 g/mol.
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