2-(quinolin-8-yl)ethan-1-amine hydrochloride

• ChemBase ID: 257206
• Molecular Formular: C11H13ClN2
• Molecular Mass: 208.68732
• Monoisotopic Mass: 208.07672611
• SMILES: c12ncccc2cccc1CCN.Cl
• Canonical SMILES: NCCc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C11H12N2.ClH/c12-7-6-10-4-1-3-9-5-2-8-13-11(9)10;/h1-5,8H,6-7,12H2;1H
• InChIKey: NWNQZLXKCBIVEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-8-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(quinolin-8-yl)ethanamine hydrochloride
• Synonyms: 2-quinolin-8-ylethanamine hydrochloride

Database IDs

• MDL Number: MFCD11099619
• PubChem SID: 164313116
• PubChem CID: 43810688

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4582428
• LogD (pH = 7.4): -0.6606027
• Log P: 1.5453302
• Molar Refractivity: 53.2077 cm^3
• Polarizability: 22.191732 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.32

Product Information

• Purity: 95%