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

• ChemBase ID: 178371
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1cccc2c1C(CNC2)O
• Canonical SMILES: OC1CNCc2c1cccc2
• InChI: InChI=1S/C9H11NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-4,9-11H,5-6H2
• InChIKey: HTHIHJJKFYXSOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydroisoquinolin-4-ol
• IUPAC Traditional name: 1,2,3,4-tetrahydroisoquinolin-4-ol
• Synonyms: 1,2,3,4-tetrahydroisoquinolin-4-ol; (+/-)-1,2,3,4-Tetrahydro-4-isoquinolinol; 1,2,3,4-Tetrahydro-4-isoquinolinol; 4-Hydroxy-1,2,3,4-tetrahydroisoquinoline; 1,2,3,4-Tetrahydro-isoquinoline-4-ol; 1,2,3,4-tetrahydro-4-isoquinolinol

Database IDs

• CAS Number: 51641-23-7
• MDL Number: MFCD09035256
• PubChem SID: 164234281
• PubChem CID: 11744792

CALCULATED PROPERTIES

• Acid pKa: 14.063852
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2332754
• LogD (pH = 7.4): -0.6049262
• Log P: 0.652487
• Molar Refractivity: 43.8231 cm^3
• Polarizability: 17.26506 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dimethyl Sulfoxide; Ethyl Acetate; Methanol
• Apperance: Low-MeltingYellow
• Hydrophobicity(logP): 0.523

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95%