3-methylbenzo[f]quinoline

• ChemBase ID: 293833
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: Cc1nc2ccc3ccccc3c2cc1
• Canonical SMILES: Cc1ccc2c(n1)ccc1c2cccc1
• InChI: InChI=1S/C14H11N/c1-10-6-8-13-12-5-3-2-4-11(12)7-9-14(13)15-10/h2-9H,1H3
• InChIKey: SUHRSZJZYUCLOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbenzo[f]quinoline
• IUPAC Traditional name: 3-methylbenzo[f]quinoline
• Synonyms: 3-Methylbenzo[f]quinoline; 3-Methylbenzo[f]quinoline; 3-甲基苯并[f]喹啉

Database IDs

• CAS Number: 85-06-3
• EC Number: 201-584-1
• MDL Number: MFCD00046906
• PubChem SID: 180679364
• PubChem CID: 6797

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1511166
• LogD (pH = 7.4): 3.2503183
• Log P: 3.2517474
• Molar Refractivity: 61.021 cm^3
• Polarizability: 26.511992 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-78°C

Safety Information

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

Product Information

• Purity: 95+%; 97%