3,7-Dihydro-1,3-Dimethyl-7-(Morpholinomethyl)-1H-Purine-2,6-Dione
[CAS# 5089-89-4]

Identification

• Name: 3,7-Dihydro-1,3-Dimethyl-7-(Morpholinomethyl)-1H-Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-7-(Morpholinomethyl)Purine-2,6-Dione; 1,3-Dimethyl-7-(Morpholinomethyl)Xanthine; Nsc 130842
• Molecular Formula: C₁₂H₁₇N₅O₃
• Molecular Weight: 279.30
• CAS Registry Number: 5089-89-4
• EINECS: 225-808-2
• SMILES: C1=NC3=C([N]1CN2CCOCC2)C(N(C)C(N3C)=O)=O
• InChI: 1S/C12H17N5O3/c1-14-10-9(11(18)15(2)12(14)19)17(7-13-10)8-16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3
• InChIKey: HGLLQAPXHCAZBP-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 500.246°C at 760 mmHg (Cal.)
• Flash point: 256.34°C (Cal.)