TL;DR: 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride (CAS 100156-26-1) is a chemical compound with molecular formula C9H18ClNO and molecular weight 191.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(dimethylamino)-3-methylhex-4-yn-3-ol;hydrochloride
Also Known As: 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride, 6-dimethylamino-3-methyl-hex-4-yn-3-ol Hydrochloride, 6-(dimethylamino)-3-methylhex-4-yn-3-ol,hydrochloride, 6-(Dimethylamino)-3-methylhex-4-yn-3-ol--hydrogen chloride (1/1)
| Molecular Formula | C9H18ClNO |
| Molecular Weight | 191.1077 g/mol |
| XLogP | 1.1342 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.1077 Da |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
| SMILES | CCC(C)(C#CCN(C)C)O.Cl |
| InChIKey | DMFYBULFNHYHPS-UHFFFAOYSA-N |
The XLogP value of 1.1342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride. With a topological polar surface area (TPSA) of 23.5 Ų, 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride 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 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride is 100156-26-1.
The molecular formula of 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride is C9H18ClNO.
The molecular weight of 6-(Dimethylamino)-3-methylhex-4-yn-3-ol hydrochloride is 191.1077 g/mol.
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