2-(butylamino)quinolin-8-ol

• ChemBase ID: 310619
• Molecular Formular: C13H16N2O
• Molecular Mass: 216.27894
• Monoisotopic Mass: 216.12626314
• SMILES: n1c2c(O)cccc2ccc1NCCCC
• Canonical SMILES: CCCCNc1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C13H16N2O/c1-2-3-9-14-12-8-7-10-5-4-6-11(16)13(10)15-12/h4-8,16H,2-3,9H2,1H3,(H,14,15)
• InChIKey: JEHFWPXGFVJHCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(butylamino)quinolin-8-ol
• IUPAC Traditional name: 2-(butylamino)quinolin-8-ol
• Synonyms: 2-(butylamino)-8-quinolinol

Database IDs

• CAS Number: 70125-20-1
• MDL Number: MFCD00168934

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.4883885
• LogD (pH = 7.4): 3.1744246
• Log P: 3.2184699
• Molar Refractivity: 66.3411 cm^3
• Polarizability: 26.091654 Å^3
• Polar Surface Area: 45.15 Å^2