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

• ChemBase ID: 273590
• Molecular Formular: C11H14Cl2N2
• Molecular Mass: 245.14826
• Monoisotopic Mass: 244.05340382
• SMILES: c12ncccc2cccc1CCN.Cl.Cl
• Canonical SMILES: NCCc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C11H12N2.2ClH/c12-7-6-10-4-1-3-9-5-2-8-13-11(9)10;;/h1-5,8H,6-7,12H2;2*1H
• InChIKey: QYYHSJGKUFYOGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785518
• PubChem SID: 164329500
• PubChem CID: 54592880

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

• Melting Point: 226 - 228°C
• Hydrophobicity(logP): 1.32

Product Information

• Purity: 95%