quinolin-2-ylmethanol hydrochloride

• ChemBase ID: 292892
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: Cl.OCc1nc2c(cccc2)cc1
• Canonical SMILES: OCc1ccc2c(n1)cccc2.Cl
• InChI: InChI=1S/C10H9NO.ClH/c12-7-9-6-5-8-3-1-2-4-10(8)11-9;/h1-6,12H,7H2;1H
• InChIKey: CSRDQUAKBOCNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-2-ylmethanol hydrochloride
• IUPAC Traditional name: quinolin-2-ylmethanol hydrochloride
• Synonyms: Quinolin-2-ylmethanol hydrochloride

Database IDs

• CAS Number: 26315-73-1
• PubChem SID: 180678423
• PubChem CID: 21644106

CALCULATED PROPERTIES

• Acid pKa: 14.247555
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4285256
• LogD (pH = 7.4): 1.4448107
• Log P: 1.4450226
• Molar Refractivity: 46.273 cm^3
• Polarizability: 19.453104 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%