6-methylquinoxaline

• ChemBase ID: 9851
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: c12nccnc1ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)nccn2
• InChI: InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3
• InChIKey: OSRARURJYPOUOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoxaline
• IUPAC Traditional name: quinoxaline, 6-methyl-
• Synonyms: 6-Methylquinoxaline; 6-Methylquinoxaline; 6-甲基喹喔啉

Database IDs

• CAS Number: 6344-72-5
• MDL Number: MFCD00041001
• Beilstein Number: 113371
• PubChem SID: 160973158
• PubChem CID: 242567

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8123184
• LogD (pH = 7.4): 1.8124975
• Log P: 1.8124998
• Molar Refractivity: 42.4916 cm^3
• Polarizability: 17.88374 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 244-245°C; 244-245°C
• Refractive Index: 1.6190

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 96%; 97%; 99%