1,3-Dimethyl-7-[2-(Methyl-(1-Phenylpropan-2-Yl)Amino)Ethyl]Purine-2,6-Dione
[CAS# 133563-07-2]

Identification

• Name: 1,3-Dimethyl-7-[2-(Methyl-(1-Phenylpropan-2-Yl)Amino)Ethyl]Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-7-[2-[Methyl-(1-Methyl-2-Phenyl-Ethyl)Amino]Ethyl]Purine-2,6-Dione; 1,3-Dimethyl-7-[2-[Methyl-(1-Methyl-2-Phenylethyl)Amino]Ethyl]Purine-2,6-Dione; 1,3-Dimethyl-7-[2-[Methyl-(1-Methyl-2-Phenyl-Ethyl)Amino]Ethyl]Xanthine
• Molecular Formula: C₁₉H₂₅N₅O₂
• Molecular Weight: 355.44
• CAS Registry Number: 133563-07-2
• SMILES: C1=NC3=C([N]1CCN(C(CC2=CC=CC=C2)C)C)C(N(C(N3C)=O)C)=O
• InChI: 1S/C19H25N5O2/c1-14(12-15-8-6-5-7-9-15)21(2)10-11-24-13-20-17-16(24)18(25)23(4)19(26)22(17)3/h5-9,13-14H,10-12H2,1-4H3
• InChIKey: DKIROGYOHNAOAH-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 553.31°C at 760 mmHg (Cal.)
• Flash point: 288.432°C (Cal.)