Prop-2-Enyl Pyrazine-2-Carboxylate
[CAS 132172-97-5]

Identification

• Name: Prop-2-Enyl Pyrazine-2-Carboxylate
• Synonyms: Allyl Pyrazine-2-Carboxylate; 2-Pyrazinecarboxylic Acid Allyl Ester; Pyrazinic Acid Allyl Ester
• Molecular Formula: C₈H₈N₂O₂
• Molecular Weight: 164.16
• CAS Registry Number: 132172-97-5
• SMILES: C1=C(C(OCC=C)=O)N=CC=N1
• InChI: 1S/C8H8N2O2/c1-2-5-12-8(11)7-6-9-3-4-10-7/h2-4,6H,1,5H2
• InChIKey: PMUVYSFTPNYAAQ-UHFFFAOYSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 275.587°C at 760 mmHg (Cal.)
• Flash point: 120.471°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