5-(aminomethyl)quinolin-8-ol

• ChemBase ID: 24593
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(c(ccc2O)CN)cccn1
• Canonical SMILES: NCc1ccc(c2c1cccn2)O
• InChI: InChI=1S/C10H10N2O/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10/h1-5,13H,6,11H2
• InChIKey: KMNQWCOAYXOQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)quinolin-8-ol
• IUPAC Traditional name: 5-(aminomethyl)quinolin-8-ol
• Synonyms: 5-(Aminomethyl)quinolin-8-ol

Database IDs

• MDL Number: MFCD06740638
• PubChem SID: 160987900
• PubChem CID: 23008755

CALCULATED PROPERTIES

• Acid pKa: 8.676765
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0149524
• LogD (pH = 7.4): -0.9590038
• Log P: 0.097503096
• Molar Refractivity: 50.4336 cm^3
• Polarizability: 20.958214 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false