2-[[3-(Trifluoromethyl)Phenyl]Amino]-3,7-Dihydropurin-6-One
[CAS# 123994-68-3]

Identification

• Name: 2-[[3-(Trifluoromethyl)Phenyl]Amino]-3,7-Dihydropurin-6-One
• Synonyms: 6H-Purin-6-One, 1,7-Dihydro-2-((3-(Trifluoromethyl)Phenyl)Amino)-; N(2)-(3-Trifluoromethylphenyl)Guanine; Tmpg
• Molecular Formula: C₁₂H₈F₃N₅O
• Molecular Weight: 295.22
• CAS Registry Number: 123994-68-3
• SMILES: C1=C(C=CC=C1NC2=NC(=O)C3=C(N2)N=C[NH]3)C(F)(F)F
• InChI: 1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
• InChIKey: IOWPKEYIXBBDOQ-UHFFFAOYSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Boiling point: 508.534°C at 760 mmHg (Cal.)
• Flash point: 261.352°C (Cal.)