(6-Amino-9H-Purin-9-Yl)(2,3,5,6-Tetramethylphenyl)-Methanone
[CAS# 36855-54-6]

Identification

• Name: (6-Amino-9H-Purin-9-Yl)(2,3,5,6-Tetramethylphenyl)-Methanone
• Synonyms: (6-Amino-9-Purinyl)-(2,3,5,6-Tetramethylphenyl)Methanone; 9-(2,3,5,6-Tetramethylbenzoyl)-9H-Purin-6-Amine; 9-(2,3,5,6-Tetramethylbenzoyl)Adenine
• Molecular Formula: C₁₆H₁₇N₅O
• Molecular Weight: 295.34
• CAS Registry Number: 36855-54-6
• SMILES: C1=NC3=C([N]1C(C2=C(C(=CC(=C2C)C)C)C)=O)N=CN=C3N
• InChI: 1S/C16H17N5O/c1-8-5-9(2)11(4)12(10(8)3)16(22)21-7-20-13-14(17)18-6-19-15(13)21/h5-7H,1-4H3,(H2,17,18,19)
• InChIKey: XJHVHCIMHGZYCX-UHFFFAOYSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 565.091°C at 760 mmHg (Cal.)
• Flash point: 295.557°C (Cal.)