1,2,3,4-tetrahydroquinolin-5-ol

• ChemBase ID: 795981
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1cc2c(c(c1)O)CCCN2
• Canonical SMILES: Oc1cccc2c1CCCN2
• InChI: InChI=1S/C9H11NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1,4-5,10-11H,2-3,6H2
• InChIKey: AACROBBFQRNFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroquinolin-5-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydroquinolin-5-ol
• Synonyms: 1,2,3,4-tetrahydroquinolin-5-ol

Database IDs

• CAS Number: 61468-43-7

CALCULATED PROPERTIES

• Acid pKa: 10.058977
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5749252
• LogD (pH = 7.4): 1.6252637
• Log P: 1.6269158
• Molar Refractivity: 46.1433 cm^3
• Polarizability: 16.789661 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%