5,6,7,8-tetrahydroquinolin-8-ol

• ChemBase ID: 293552
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: n1cccc2c1C(CCC2)O
• Canonical SMILES: OC1CCCc2c1nccc2
• InChI: InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h2,4,6,8,11H,1,3,5H2
• InChIKey: YCQHYOBSOVFBEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinolin-8-ol
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinolin-8-ol
• Synonyms: 5,6,7,8-Tetrahydroquinolin-8-ol; 8-Quinolinol, 5,6,7,8-tetrahydro-

Database IDs

• CAS Number: 14631-46-0
• MDL Number: MFCD07369987
• PubChem SID: 180679083
• PubChem CID: 11815939

CALCULATED PROPERTIES

• Acid pKa: 13.800268
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0789084
• LogD (pH = 7.4): 1.2087187
• Log P: 1.2106776
• Molar Refractivity: 42.4517 cm^3
• Polarizability: 16.601334 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%; 98%