quinolin-6-ylmethanol

• ChemBase ID: 57214
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1(ccc2c(c1)cccn2)CO
• Canonical SMILES: OCc1ccc2c(c1)cccn2
• InChI: InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
• InChIKey: YQEJIIUSNDZIGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-6-ylmethanol
• IUPAC Traditional name: quinolin-6-ylmethanol
• Synonyms: 6-quinolinylmethanol; Quinolin-6-ylmethanol; 6-Quinolinemethanol

Database IDs

• CAS Number: 100516-88-9
• MDL Number: MFCD03789621
• PubChem SID: 162061977
• PubChem CID: 1514385

CALCULATED PROPERTIES

• Acid pKa: 14.950558
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.328045
• LogD (pH = 7.4): 1.3630832
• Log P: 1.3635507
• Molar Refractivity: 46.7952 cm^3
• Polarizability: 19.451506 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.991

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%