8-(3-aminopropoxy)quinoline dihydrochloride

• ChemBase ID: 270392
• Molecular Formular: C12H16Cl2N2O
• Molecular Mass: 275.17424
• Monoisotopic Mass: 274.0639685
• SMILES: c12ncccc2cccc1OCCCN.Cl.Cl
• Canonical SMILES: NCCCOc1cccc2c1nccc2.Cl.Cl
• InChI: InChI=1S/C12H14N2O.2ClH/c13-7-3-9-15-11-6-1-4-10-5-2-8-14-12(10)11;;/h1-2,4-6,8H,3,7,9,13H2;2*1H
• InChIKey: VSRJOLFYZVBUNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-aminopropoxy)quinoline dihydrochloride
• IUPAC Traditional name: 8-(3-aminopropoxy)quinoline dihydrochloride
• Synonyms: 8-(3-aminopropoxy)quinoline dihydrochloride

Database IDs

• MDL Number: MFCD17480381
• PubChem SID: 164326302
• PubChem CID: 50988427

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.781086
• LogD (pH = 7.4): -1.1817495
• Log P: 1.2362051
• Molar Refractivity: 59.2577 cm^3
• Polarizability: 24.731895 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 1.925

Product Information

• Purity: 95%