7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

• ChemBase ID: 799573
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(cc2c(cc1O)CCNC2C)OC
• Canonical SMILES: COc1cc2C(C)NCCc2cc1O
• InChI: InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
• InChIKey: YTPRLBGPGZHUPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
• IUPAC Traditional name: salsoline
• Synonyms: 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

Database IDs

• CAS Number: 76419-97-1

CALCULATED PROPERTIES

• Acid pKa: 10.097057
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.580785
• LogD (pH = 7.4): -0.24950963
• Log P: 1.137235
• Molar Refractivity: 55.4785 cm^3
• Polarizability: 21.529408 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%