1,2,3,4-tetrahydroisoquinolin-6-ol

• ChemBase ID: 813545
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1cc2c(cc1O)CCNC2
• Canonical SMILES: Oc1ccc2c(c1)CCNC2
• InChI: InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2
• InChIKey: SCMZIFSYPJICCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroisoquinolin-6-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydroisoquinolin-6-ol
• Synonyms: 1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL

Database IDs

• CAS Number: 14446-24-3

CALCULATED PROPERTIES

• Acid pKa: 9.784697
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8564805
• LogD (pH = 7.4): -0.5733486
• Log P: 0.7069085
• Molar Refractivity: 44.5965 cm^3
• Polarizability: 17.175644 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%