TL;DR: 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) (CAS 63905-67-9) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 5,6-DIMETHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE, 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.08696 g/mol |
| XLogP | -2.67 |
| Topological Polar Surface Area (TPSA) | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08696 Da |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
| SMILES | COC1=C(C2=C(C[NH2+]CC2)C=C1)OC.[Cl-] |
| InChIKey | QPBAENLXKAWWOO-UHFFFAOYSA-N |
The XLogP value of -2.67 indicates that 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) has 1 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 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is 63905-67-9.
The molecular formula of 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is C11H16ClNO2.
The molecular weight of 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1) is 229.08696 g/mol.
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