TL;DR: 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- (CAS 112767-76-7) is a chemical compound with molecular formula C11H17Cl2NO and molecular weight 249.06873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)methyl-(1-hydroxybutan-2-yl)azanium chloride
Also Known As: 1-BUTANOL, 2-(((2-CHLOROPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (R)-, (R)-2-(((2-Chlorophenyl)methyl)amino)-1-butanol hydrochloride, (2-chlorophenyl)methyl-(1-hydroxybutan-2-yl)azanium chloride, n-(2-chlorobenzyl)-1-hydroxybutan-2-aminium chloride
| Molecular Formula | C11H17Cl2NO |
| Molecular Weight | 249.06873 g/mol |
| XLogP | -1.82 |
| Topological Polar Surface Area (TPSA) | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06873 Da |
| Heavy Atoms | 15 |
| Complexity | 154.0 |
| SMILES | CCC(CO)[NH2+]CC1=CC=CC=C1Cl.[Cl-] |
| InChIKey | ORJGAUNQLJLYSA-UHFFFAOYSA-N |
The XLogP value of -1.82 indicates that 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- is 112767-76-7.
The molecular formula of 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- is C11H17Cl2NO.
The molecular weight of 1-Butanol, 2-(((2-chlorophenyl)methyl)amino)-, hydrochloride, (R)- is 249.06873 g/mol.
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