3-(2-aminoethyl)quinolin-6-ol

• ChemBase ID: 238861
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: n1c2c(cc(cc2)O)cc(c1)CCN
• Canonical SMILES: NCCc1cnc2c(c1)cc(cc2)O
• InChI: InChI=1S/C11H12N2O/c12-4-3-8-5-9-6-10(14)1-2-11(9)13-7-8/h1-2,5-7,14H,3-4,12H2
• InChIKey: ZRBWJXJFKGFIBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethyl)quinolin-6-ol
• IUPAC Traditional name: 3-(2-aminoethyl)quinolin-6-ol
• Synonyms: 3-(2-aminoethyl)quinolin-6-ol

Database IDs

• MDL Number: MFCD22391993
• PubChem SID: 164294771
• PubChem CID: 71695367

CALCULATED PROPERTIES

• Acid pKa: 9.400062
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7631029
• LogD (pH = 7.4): -0.9621657
• Log P: 0.6335443
• Molar Refractivity: 55.1886 cm^3
• Polarizability: 22.718699 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.368

Product Information

• Purity: 95%