1,2,3,4-tetrahydroquinolin-8-ol

• ChemBase ID: 13281
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1cc(c2c(c1)CCCN2)O
• Canonical SMILES: Oc1cccc2c1NCCC2
• InChI: InChI=1S/C9H11NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10-11H,2,4,6H2
• InChIKey: WYKWUPMZBGOFOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-8-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-8-ol
• Synonyms: 1,2,3,4-Tetrahydro-quinolin-8-ol; 1,2,3,4-tetrahydroquinolin-8-ol; 8-Hydroxy-1,2,3,4-tetrahydroquinoline

Database IDs

• CAS Number: 6640-50-2
• MDL Number: MFCD02656029
• PubChem SID: 160976588
• PubChem CID: 241490

CALCULATED PROPERTIES

• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.368116
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3477104
• LogD (pH = 7.4): 1.6207685
• Log P: 1.6269158
• Molar Refractivity: 46.1433 cm^3
• Polarizability: 16.78982 Å^3

PROPERTIES

Physical Property

• Melting Point: 116 - 118°C
• Hydrophobicity(logP): 1.518

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%