TL;DR: 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride (CAS 1047620-37-0) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride
Also Known As: 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride, spiro[1,3-dioxaindane-2,1'-cyclopentane]-6-amine hydrochloride, spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine;hydrochloride, spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-amine hydrochloride, spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine hydrochloride
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.0713 g/mol |
| XLogP | 2.7321 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0713 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | C1CCC2(C1)OC3=C(O2)C=C(C=C3)N.Cl |
| InChIKey | UMLSTNVOWHQQSB-UHFFFAOYSA-N |
The XLogP value of 2.7321 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride. With a topological polar surface area (TPSA) of 44.5 Ų, 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride has 2 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 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride is 1047620-37-0.
The molecular formula of 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride is C11H14ClNO2.
The molecular weight of 5-Aminospiro[1,3-benzodioxole-2,1'-cyclopentane] hydrochloride is 227.0713 g/mol.
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