7-(2-Diethoxyphosphoryloxyethyl)-1,3-Dimethyl-Purine-2,6-Dione
[CAS# 69387-73-1]

Identification

• Name: 7-(2-Diethoxyphosphoryloxyethyl)-1,3-Dimethyl-Purine-2,6-Dione
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl Diethyl Phosphate; Phosphoric Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Diethyl Ester; Phosphoric Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Diethyl Ester
• Molecular Formula: C₁₃H₂₁N₄O₆P
• Molecular Weight: 360.31
• CAS Registry Number: 69387-73-1
• SMILES: C1=NC2=C([N]1CCO[P](=O)(OCC)OCC)C(N(C(N2C)=O)C)=O
• InChI: 1S/C13H21N4O6P/c1-5-21-24(20,22-6-2)23-8-7-17-9-14-11-10(17)12(18)16(4)13(19)15(11)3/h9H,5-8H2,1-4H3
• InChIKey: XMRCZTXSSJRABQ-UHFFFAOYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 538.62°C at 760 mmHg (Cal.)
• Flash point: 279.548°C (Cal.)