ethyl 2-(pyrazin-2-yl)acetate

• ChemBase ID: 815412
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O(C(=O)Cc1cnccn1)CC
• Canonical SMILES: CCOC(=O)Cc1cnccn1
• InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)5-7-6-9-3-4-10-7/h3-4,6H,2,5H2,1H3
• InChIKey: OSHSECDFTBXQLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(pyrazin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(pyrazin-2-yl)acetate
• Synonyms: ethyl 2-(pyrazin-2-yl)acetate

Database IDs

• CAS Number: 1060815-23-7

CALCULATED PROPERTIES

• Acid pKa: 19.557102
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.0641982
• LogD (pH = 7.4): 0.06420155
• Log P: 0.064201586
• Molar Refractivity: 42.1975 cm^3
• Polarizability: 16.692863 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%