pyrazin-2-ylmethanol

• ChemBase ID: 63213
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(cnccn1)CO
• Canonical SMILES: OCc1cnccn1
• InChI: InChI=1S/C5H6N2O/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2
• InChIKey: LFCWHDGQCWJKCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazin-2-ylmethanol; (pyrazin-2-yl)methanol
• IUPAC Traditional name: pyrazin-2-ylmethanol
• Synonyms: 2-Pyrazinemethanol; 2-pyrazinylmethanol; (2-Hydroxymethyl)pyrazine; (Pyrazin-2-yl)methanol; 2-(Hydroxymethyl)pyrazine 97%; pyrazin-2-ylmethanol

Database IDs

• CAS Number: 6705-33-5
• MDL Number: MFCD01693938
• PubChem SID: 162028952
• PubChem CID: 201734

CALCULATED PROPERTIES

• Acid pKa: 13.908047
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1479807
• LogD (pH = 7.4): -1.1479771
• Log P: -1.1479769
• Molar Refractivity: 28.0379 cm^3
• Polarizability: 11.00923 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-36°C
• Hydrophobicity(logP): -1.35

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%