8-ethylquinoline

• ChemBase ID: 258610
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: c12ncccc2cccc1CC
• Canonical SMILES: CCc1cccc2c1nccc2
• InChI: InChI=1S/C11H11N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3-8H,2H2,1H3
• InChIKey: WSNATRDCOFYLCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethylquinoline
• IUPAC Traditional name: 8-ethylquinoline
• Synonyms: 8-ethylquinoline

Database IDs

• CAS Number: 19655-56-2
• MDL Number: MFCD00040688
• PubChem SID: 164314520
• PubChem CID: 88185

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0470045
• LogD (pH = 7.4): 3.0883346
• Log P: 3.0888906
• Molar Refractivity: 49.6215 cm^3
• Polarizability: 20.688477 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.057

Product Information

• Purity: 95%