8-ethoxyquinoline

• ChemBase ID: 295428
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: CCOc1cccc2c1nccc2
• Canonical SMILES: CCOc1cccc2c1nccc2
• InChI: InChI=1S/C11H11NO/c1-2-13-10-7-3-5-9-6-4-8-12-11(9)10/h3-8H,2H2,1H3
• InChIKey: UGRGZOJMYMJWLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethoxyquinoline
• IUPAC Traditional name: 8-ethoxyquinoline
• Synonyms: 8-Ethoxyquinoline; 8-乙氧基喹啉

Database IDs

• CAS Number: 1555-94-8
• EC Number: 216-308-5
• MDL Number: MFCD00039728
• PubChem SID: 180680959
• PubChem CID: 73781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.329069
• LogD (pH = 7.4): 2.330025
• Log P: 2.330037
• Molar Refractivity: 51.1911 cm^3
• Polarizability: 21.37011 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%