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

• ChemBase ID: 276841
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(nccnc1)[C@@H](O)C
• Canonical SMILES: C[C@@H](c1cnccn1)O
• InChI: InChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-5,9H,1H3/t5-/m0/s1
• InChIKey: LRQUNKQRPBWOQQ-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19672056
• PubChem SID: 164332751
• PubChem CID: 51656285

CALCULATED PROPERTIES

• Acid pKa: 13.835494
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.579216
• LogD (pH = 7.4): -0.57921284
• Log P: -0.57921267
• Molar Refractivity: 32.5318 cm^3
• Polarizability: 12.841847 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.041

Product Information

• Purity: 95%