Pteridine
[CAS# 91-18-9]

Identification

• Name: Pteridine
• Synonyms: Inchi=1/C6h4n4/C1-2-9-6-5(8-1)3-7-4-10-6/H1-4; Pyrimido(4,5-B)Pyrazine; Nsc 268562
• Molecular Formula: C₆H₄N₄
• Molecular Weight: 132.12
• CAS Registry Number: 91-18-9
• SMILES: C1=NC=NC2=C1N=CC=N2
• InChI: 1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
• InChIKey: CPNGPNLZQNNVQM-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 264.999°C at 760 mmHg (Cal.)
• Flash point: 124.662°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493