7-methoxyisoquinolin-1-amine

• ChemBase ID: 814116
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(cc2c(cc1)ccnc2N)OC
• Canonical SMILES: COc1ccc2c(c1)c(N)ncc2
• InChI: InChI=1S/C10H10N2O/c1-13-8-3-2-7-4-5-12-10(11)9(7)6-8/h2-6H,1H3,(H2,11,12)
• InChIKey: DFGBZXMIKBTZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyisoquinolin-1-amine
• IUPAC Traditional name: 7-methoxyisoquinolin-1-amine
• Synonyms: 7-methoxyisoquinolin-1-amine

Database IDs

• CAS Number: 42398-75-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.056527983
• LogD (pH = 7.4): 1.1428965
• Log P: 1.3529104
• Molar Refractivity: 51.8284 cm^3
• Polarizability: 20.616777 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%