1,2,3,4-tetrahydroisoquinoline-6,7-diol

• ChemBase ID: 128668
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C1CNCc2cc(c(cc12)O)O
• Canonical SMILES: Oc1cc2CNCCc2cc1O
• InChI: InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
• InChIKey: MBFUSGLXKQWVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroisoquinoline-6,7-diol
• IUPAC Traditional name: norsalsolinol
• Synonyms: 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline; Norsalsolinol

Database IDs

• CAS Number: 34827-33-3
• PubChem SID: 162222975
• PubChem CID: 36937
• Wikipedia Title: Norsalsolinol

CALCULATED PROPERTIES

• Acid pKa: 9.584738
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.0046637
• LogD (pH = 7.4): -0.45311308
• Log P: 0.5779749
• Molar Refractivity: 46.5774 cm^3
• Polarizability: 17.77688 Å^3
• Polar Surface Area: 52.49 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Main Hazard: Neurotoxin