2-methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrochloride

• ChemBase ID: 232728
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: N1c2c(CCC1C)cccc2O.Cl
• Canonical SMILES: CC1CCc2c(N1)c(O)ccc2.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-7-5-6-8-3-2-4-9(12)10(8)11-7;/h2-4,7,11-12H,5-6H2,1H3;1H
• InChIKey: RJJOGGCZHGESJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrochloride
• IUPAC Traditional name: 2-methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrochloride
• Synonyms: 2-methyl-1,2,3,4-tetrahydroquinolin-8-ol hydrochloride

Database IDs

• CAS Number: 81485-78-1
• MDL Number: MFCD08447135
• PubChem SID: 164288638
• PubChem CID: 20847991

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 1.7893852
• LogD (pH = 7.4): 2.0379975
• Log P: 2.043491
• Molar Refractivity: 50.5621 cm^3
• Polarizability: 18.63307 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.355704
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 95%
• Salt Data: HCl