Propyl Pyrazine-2-Carboxylate
[CAS 73763-87-8]

Identification

• Name: Propyl Pyrazine-2-Carboxylate
• Synonyms: 2-Pyrazinecarboxylic Acid Propyl Ester; Pyrazinic Acid Propyl Ester; 5-25-04-00177 (Beilstein Handbook Reference)
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• CAS Registry Number: 73763-87-8
• SMILES: C1=C(C(=O)OCCC)N=CC=N1
• InChI: 1S/C8H10N2O2/c1-2-5-12-8(11)7-6-9-3-4-10-7/h3-4,6H,2,5H2,1H3
• InChIKey: AQMXNGDQEPGTRM-UHFFFAOYSA-N

Properties

• Density: 1.132g/cm³ (Cal.)
• Boiling point: 253.543°C at 760 mmHg (Cal.)
• Flash point: 107.14°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370