7-fluoroquinolin-3-amine dihydrochloride

• ChemBase ID: 97755
• Molecular Formular: C9H9Cl2FN2
• Molecular Mass: 235.0855632
• Monoisotopic Mass: 234.01268188
• SMILES: n1cc(cc2ccc(cc12)F)N.Cl.Cl
• Canonical SMILES: Fc1ccc2c(c1)ncc(c2)N.Cl.Cl
• InChI: InChI=1S/C9H7FN2.2ClH/c10-7-2-1-6-3-8(11)5-12-9(6)4-7;;/h1-5H,11H2;2*1H
• InChIKey: FUZCMNKLQVFZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoroquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 7-fluoroquinolin-3-amine dihydrochloride
• Synonyms: 7-Fluoroquinolin-3-amine dihydrochloride; 3-Amino-7-fluoroquinoline dihydrochloride

Database IDs

• PubChem SID: 162105085
• PubChem CID: 53396933

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.4443498
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.723713 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4195293

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon