TL;DR: Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride (CAS 63937-91-7) is a chemical compound with molecular formula C10H14ClNO2 and molecular weight 215.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5,6-diol chloride
Also Known As: 2-Methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diol hydrochloride, ISOQUINOLINE-5,6-DIOL, 1,2,3,4-TETRAHYDRO-2-METHYL-, HYDROCHLORIDE, 5,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, N-Methyl-5,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, Isoquinoline, N-methyl-5,6-dihydroxy-1,2,3,4-tetrahydro-, hydrochloride
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.0713 g/mol |
| XLogP | -3.33 |
| Topological Polar Surface Area (TPSA) | 44.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.0713 Da |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
| SMILES | C[NH+]1CCC2=C(C1)C=CC(=C2O)O.[Cl-] |
| InChIKey | QTTSJXQSEQDDRB-UHFFFAOYSA-N |
The XLogP value of -3.33 indicates that Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.9 Ų, Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride has 3 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 Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride is 63937-91-7.
The molecular formula of Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride is C10H14ClNO2.
The molecular weight of Isoquinoline-5,6-diol, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride is 215.0713 g/mol.
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