6-methoxyisoquinoline hydrochloride

• ChemBase ID: 796345
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: Cl.c1cc2c(cc1OC)ccnc2
• Canonical SMILES: COc1ccc2c(c1)ccnc2.Cl
• InChI: InChI=1S/C10H9NO.ClH/c1-12-10-3-2-9-7-11-5-4-8(9)6-10;/h2-7H,1H3;1H
• InChIKey: MHJDVDRMCCCPHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyisoquinoline hydrochloride
• IUPAC Traditional name: 6-methoxyisoquinoline hydrochloride
• Synonyms: 6-Methoxyisoquinoline hydrochloride

Database IDs

• CAS Number: 915865-96-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1100938
• LogD (pH = 7.4): 1.5734333
• Log P: 1.5873789
• Molar Refractivity: 46.8145 cm^3
• Polarizability: 19.509792 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%