7-(3-Chloropropyl)-1,3-Dimethylpurine-2,6-Dione
[CAS# 2770-66-3]

Identification

• Name: 7-(3-Chloropropyl)-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-(3-Chloropropyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-(3-Chloropropyl)-1,3-Dimethyl-Xanthine; (Chloro-3 Propyl)-7 Theophylline [French]
• Molecular Formula: C₁₀H₁₃ClN₄O₂
• Molecular Weight: 256.69
• CAS Registry Number: 2770-66-3
• EINECS: 220-462-9
• SMILES: C1=NC2=C([N]1CCCCl)C(N(C)C(=O)N2C)=O
• InChI: 1S/C10H13ClN4O2/c1-13-8-7(9(16)14(2)10(13)17)15(6-12-8)5-3-4-11/h6H,3-5H2,1-2H3
• InChIKey: MORVOYPJRATMRS-UHFFFAOYSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 473.177°C at 760 mmHg (Cal.)
• Flash point: 239.969°C (Cal.)