2,6-dimethoxypyrazine

• ChemBase ID: 64750
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1c(nc(cn1)OC)OC
• Canonical SMILES: COc1cncc(n1)OC
• InChI: InChI=1S/C6H8N2O2/c1-9-5-3-7-4-6(8-5)10-2/h3-4H,1-2H3
• InChIKey: FCLZSYLOQPRJMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxypyrazine
• IUPAC Traditional name: pyrazine, 2,6-dimethoxy-
• Synonyms: 2,6-Dimethoxypyrazine

Database IDs

• CAS Number: 4774-15-6
• MDL Number: MFCD00955843
• PubChem SID: 162030489
• PubChem CID: 3264170

CALCULATED PROPERTIES

• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41147226
• LogD (pH = 7.4): 0.41147348
• Log P: 0.41147348
• Molar Refractivity: 35.2976 cm^3
• Polarizability: 13.627681 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%