[3-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-2-Hydroxypropyl] 2-(4-Chlorophenoxy)-2-Methylpropanoate
[CAS# 77444-81-6]

Identification

• Name: [3-(1,3-Dimethyl-2,6-Dioxopurin-7-Yl)-2-Hydroxypropyl] 2-(4-Chlorophenoxy)-2-Methylpropanoate
• Synonyms: [3-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)-2-Hydroxy-Propyl] 2-(4-Chlorophenoxy)-2-Methyl-Propanoate; 2-(4-Chlorophenoxy)-2-Methylpropanoic Acid [3-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)-2-Hydroxypropyl] Ester; 2-(4-Chlorophenoxy)-2-Methyl-Propionic Acid [3-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)-2-Hydroxy-Propyl] Ester
• Molecular Formula: C₂₀H₂₃ClN₄O₆
• Molecular Weight: 450.88
• CAS Registry Number: 77444-81-6
• SMILES: C1=CC(=CC=C1OC(C(=O)OCC(C[N]2C=NC3=C2C(N(C(N3C)=O)C)=O)O)(C)C)Cl
• InChI: 1S/C20H23ClN4O6/c1-20(2,31-14-7-5-12(21)6-8-14)18(28)30-10-13(26)9-25-11-22-16-15(25)17(27)24(4)19(29)23(16)3/h5-8,11,13,26H,9-10H2,1-4H3
• InChIKey: RWUZELNIWDBCAE-UHFFFAOYSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 678.31°C at 760 mmHg (Cal.)
• Flash point: 364.029°C (Cal.)