2-(pyrazin-2-yl)ethan-1-ol

• ChemBase ID: 260356
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(CCO)cncc1
• Canonical SMILES: OCCc1cnccn1
• InChI: InChI=1S/C6H8N2O/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2
• InChIKey: MHDJZGMTVSLZDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrazin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(pyrazin-2-yl)ethanol
• Synonyms: 2-(Pyrazin-2-yl)ethanol; 2-(pyrazin-2-yl)ethan-1-ol

Database IDs

• CAS Number: 6705-31-3
• MDL Number: MFCD04038640
• PubChem SID: 164316266
• PubChem CID: 522247

CALCULATED PROPERTIES

• Acid pKa: 15.592025
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.91097635
• LogD (pH = 7.4): -0.9109643
• Log P: -0.9109642
• Molar Refractivity: 32.7373 cm^3
• Polarizability: 12.771029 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.121

Product Information

• Purity: 95%; 95+%