(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol

• ChemBase ID: 286789
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: OC[C@@H]1NCc2c(cccc2)C1
• Canonical SMILES: OC[C@@H]1NCc2c(C1)cccc2
• InChI: InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
• InChIKey: ZSKDXMLMMQFHGW-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
• IUPAC Traditional name: (3R)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
• Synonyms: (R)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol

Database IDs

• CAS Number: 62855-02-1
• PubChem SID: 180672320
• PubChem CID: 723422

CALCULATED PROPERTIES

• Acid pKa: 15.10866
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0497227
• LogD (pH = 7.4): -0.5149668
• Log P: 0.9411482
• Molar Refractivity: 48.5781 cm^3
• Polarizability: 19.036503 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%