8-methoxyquinolin-3-amine dihydrochloride

• ChemBase ID: 88825
• Molecular Formular: C10H12Cl2N2O
• Molecular Mass: 247.12108
• Monoisotopic Mass: 246.03266837
• SMILES: n1cc(cc2cccc(c12)OC)N.Cl.Cl
• Canonical SMILES: COc1cccc2c1ncc(c2)N.Cl.Cl
• InChI: InChI=1S/C10H10N2O.2ClH/c1-13-9-4-2-3-7-5-8(11)6-12-10(7)9;;/h2-6H,11H2,1H3;2*1H
• InChIKey: VKLPWBXHQFBOTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 8-methoxyquinolin-3-amine dihydrochloride
• Synonyms: 8-Methoxyquinolin-3-amine dihydrochloride; 3-Amino-8-methoxyquinoline dihydrochloride

Database IDs

• PubChem SID: 162104651
• PubChem CID: 53396928

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1418908
• LogD (pH = 7.4): 1.1442728
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.627844 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon