TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride (CAS 37011-98-6) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 2-Cyclopropylmethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, 2-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-CYCLOPROPYLMETHYL-, HYDROCHLORIDE, 2-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinolinium chloride, Isoquinoline, 2-(cyclopropylmethyl)-1,2,3,4-tetrahydro-, hydrochloride
| Molecular Formula | C13H18ClN |
| Molecular Weight | 223.11278 g/mol |
| XLogP | -1.96 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11278 Da |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
| SMILES | C1CC1C[NH+]2CCC3=CC=CC=C3C2.[Cl-] |
| InChIKey | NESQTCCPPFQAIB-UHFFFAOYSA-N |
The XLogP value of -1.96 indicates that Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride is 37011-98-6.
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride is C13H18ClN.
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-cyclopropylmethyl-, hydrochloride is 223.11278 g/mol.
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