(2-methylquinolin-6-yl)methanol

• ChemBase ID: 77271
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: n1c2ccc(cc2ccc1C)CO
• Canonical SMILES: OCc1ccc2c(c1)ccc(n2)C
• InChI: InChI=1S/C11H11NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-6,13H,7H2,1H3
• InChIKey: HLFYJILNIBADGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylquinolin-6-yl)methanol
• IUPAC Traditional name: (2-methylquinolin-6-yl)methanol
• Synonyms: (2-Methylquinolin-6-yl)methanol; 6-(Hydroxymethyl)-2-methyl-1-azanaphthalene; 6-(Hydroxymethyl)-2-methylquinoline; (2-methyl-6-quinolinyl)methanol; (2-Methylquinolin-6-yl)methanol

Database IDs

• CAS Number: 108166-02-5
• MDL Number: MFCD06659066
• PubChem SID: 162042144
• PubChem CID: 2795481

CALCULATED PROPERTIES

• Acid pKa: 14.9543495
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3516952
• LogD (pH = 7.4): 1.4927771
• Log P: 1.4949208
• Molar Refractivity: 51.3867 cm^3
• Polarizability: 21.215466 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-139°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95+%; 97%; 98%