TL;DR: 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride (CAS 52400-62-1) is a chemical compound with molecular formula C14H20ClNO3 and molecular weight 285.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]morpholin-4-ium chloride
Also Known As: 2-Methyl-2-(2-morpholinoethyl)-1,3-benzodioxole hydrochloride, 1,3-BENZODIOXOLE, 2-METHYL-2-(2-MORPHOLINOETHYL)-, HYDROCHLORIDE, 4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]morpholin-4-ium chloride, Morpholine, 4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-, hydrochloride
| Molecular Formula | C14H20ClNO3 |
| Molecular Weight | 285.11316 g/mol |
| XLogP | -2.52 |
| Topological Polar Surface Area (TPSA) | 32.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.11316 Da |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
| SMILES | CC1(OC2=CC=CC=C2O1)CC[NH+]3CCOCC3.[Cl-] |
| InChIKey | GOVKDLFHVCVEKB-UHFFFAOYSA-N |
The XLogP value of -2.52 indicates that 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.1 Ų, 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride is 52400-62-1.
The molecular formula of 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride is C14H20ClNO3.
The molecular weight of 1,3-Benzodioxole, 2-methyl-2-(2-morpholinoethyl)-, hydrochloride is 285.11316 g/mol.
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