(3-methylpyrazin-2-yl)methanol

• ChemBase ID: 309071
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(nccnc1C)CO
• Canonical SMILES: OCc1nccnc1C
• InChI: InChI=1S/C6H8N2O/c1-5-6(4-9)8-3-2-7-5/h2-3,9H,4H2,1H3
• InChIKey: PIDARGGCVNDISL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylpyrazin-2-yl)methanol
• IUPAC Traditional name: (3-methylpyrazin-2-yl)methanol
• Synonyms: (3-METHYLPYRAZIN-2-YL)METHANOL; (3-methyl-2-pyrazinyl)methanol

Database IDs

• CAS Number: 160818-32-6
• MDL Number: MFCD09834939

CALCULATED PROPERTIES

• Acid pKa: 13.951895
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0166229
• LogD (pH = 7.4): -1.016607
• Log P: -1.0166067
• Molar Refractivity: 32.6294 cm^3
• Polarizability: 12.768532 Å^3
• Polar Surface Area: 46.01 Å^2

PROPERTIES

Product Information

• Purity: 98%