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

• ChemBase ID: 118928
• Molecular Formular: C11H16ClNO2
• Molecular Mass: 229.70324
• Monoisotopic Mass: 229.08695644
• SMILES: c12cc(c(cc1CCNC2C)O)OC.Cl
• Canonical SMILES: COc1cc2C(C)NCCc2cc1O.Cl
• InChI: InChI=1S/C11H15NO2.ClH/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7;/h5-7,12-13H,3-4H2,1-2H3;1H
• InChIKey: PZZVNEZKNWRZEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162107204
• PubChem CID: 2752165

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

• Salt Data: HCl
• Description: mainly (R)-form ~ 60-70%
• Classification: Genuine Natural Compounds

DETAILS

InterBioScreen - BB_NC-0029

mainly (R)-form ~ 60-70%