2-(quinolin-2-yl)ethan-1-ol

• ChemBase ID: 67868
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: n1c(ccc2ccccc12)CCO
• Canonical SMILES: OCCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2
• InChIKey: VPDAGUVEZGEHJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-quinolineethanol
• Synonyms: 2-(2-Hydroxyethyl)quinoline; 2-(Quinolin-2-yl)ethanol

Database IDs

• CAS Number: 1011-50-3
• MDL Number: MFCD01685503
• PubChem SID: 162033603
• PubChem CID: 70532

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.629625
• LogD (pH = 7.4): 1.6813332
• Log P: 1.6820353
• Molar Refractivity: 50.9724 cm^3
• Polarizability: 21.220724 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.694158
• H Acceptors: 2
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%