3-(2-Methylphenyl)Pteridin-4-One
[CAS# 34594-41-7]

Identification

• Name: 3-(2-Methylphenyl)Pteridin-4-One
• Synonyms: 3-(2-Methylphenyl)-4-Pteridinone; 3-(O-Tolyl)-4(3H)-Pteridinone; 4(3H)-Pteridinone, 3-(O-Tolyl)-
• Molecular Formula: C₁₃H₁₀N₄O
• Molecular Weight: 238.25
• CAS Registry Number: 34594-41-7
• SMILES: C3=C(N1C(=O)C2=C(N=C1)N=CC=N2)C(=CC=C3)C
• InChI: 1S/C13H10N4O/c1-9-4-2-3-5-10(9)17-8-16-12-11(13(17)18)14-6-7-15-12/h2-8H,1H3
• InChIKey: RYCMEKLQEWGKBF-UHFFFAOYSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 435.43°C at 760 mmHg (Cal.)
• Flash point: 217.14°C (Cal.)