2,3-dimethoxyquinoxaline

• ChemBase ID: 70663
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: n1c(c(nc2ccccc12)OC)OC
• Canonical SMILES: COc1nc2ccccc2nc1OC
• InChI: InChI=1S/C10H10N2O2/c1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h3-6H,1-2H3
• InChIKey: CRAYFGFTLBTRRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethoxyquinoxaline
• IUPAC Traditional name: 2,3-dimethoxyquinoxaline
• Synonyms: 2,3-Dimethoxyquinoxaline

Database IDs

• CAS Number: 6333-43-3
• MDL Number: MFCD00068701
• PubChem SID: 162036376
• PubChem CID: 236274

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1726506
• LogD (pH = 7.4): 2.1726508
• Log P: 2.1726508
• Molar Refractivity: 51.0038 cm^3
• Polarizability: 21.097002 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%