5-methoxyisoquinolin-1-amine

• ChemBase ID: 814124
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1cc2c(c(c1)OC)ccnc2N
• Canonical SMILES: COc1cccc2c1ccnc2N
• InChI: InChI=1S/C10H10N2O/c1-13-9-4-2-3-8-7(9)5-6-12-10(8)11/h2-6H,1H3,(H2,11,12)
• InChIKey: AIRVMTOKPDSRBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxyisoquinolin-1-amine
• IUPAC Traditional name: 5-methoxyisoquinolin-1-amine
• Synonyms: 5-methoxyisoquinolin-1-amine

Database IDs

• CAS Number: 1196152-25-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.55374557
• LogD (pH = 7.4): 1.3191607
• Log P: 1.3529104
• Molar Refractivity: 51.8284 cm^3
• Polarizability: 20.621752 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%