8-fluoroquinolin-3-amine dihydrochloride

• ChemBase ID: 97754
• Molecular Formular: C9H9Cl2FN2
• Molecular Mass: 235.0855632
• Monoisotopic Mass: 234.01268188
• SMILES: n1cc(cc2cccc(c12)F)N.Cl.Cl
• Canonical SMILES: Nc1cnc2c(c1)cccc2F.Cl.Cl
• InChI: InChI=1S/C9H7FN2.2ClH/c10-8-3-1-2-6-4-7(11)5-12-9(6)8;;/h1-5H,11H2;2*1H
• InChIKey: LNWWLFVOVXIGAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 8-fluoroquinolin-3-amine dihydrochloride
• Synonyms: 8-Fluoroquinolin-3-amine dihydrochloride; 3-Amino-8-fluoroquinoline dihydrochloride

Database IDs

• PubChem SID: 162104981
• PubChem CID: 53396934

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4444232
• LogD (pH = 7.4): 1.4446733
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.72994 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon