8-Chloro-Theophylline Compd. With 2-(1,1-Diphenylethoxy)-N,N-Dimethylethylamine (1:1)
[CAS# 21661-62-1]

Identification

• Name: 8-Chloro-Theophylline Compd. With 2-(1,1-Diphenylethoxy)-N,N-Dimethylethylamine (1:1)
• Synonyms: 8-Chloro-1,3-Dimethyl-7H-Purine-2,6-Dione; 2-(1,1-Diphenylethoxy)-N,N-Dimethyl-Ethanamine; 8-Chloro-1,3-Dimethyl-7H-Purine-2,6-Quinone; 2-(1,1-Diphenylethoxy)Ethyl-Dimethyl-Amine; 1H-Purine-2,6-Dione, 8-Chloro-3,7-Dihydro-1,3-Dimethyl-, Compd. With 2-(1,1-Diphenylethoxy)-N,N-Dimethylethanamine (1:1)
• Molecular Formula: C₂₅H₃₀ClN₅O₃
• Molecular Weight: 484.00
• CAS Registry Number: 21661-62-1
• SMILES: CN2C1=C([NH]C(=N1)Cl)C(=O)N(C2=O)C.C4=C(C(OCCN(C)C)(C3=CC=CC=C3)C)C=CC=C4
• InChI: 1S/C18H23NO.C7H7ClN4O2/c1-18(20-15-14-19(2)3,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-13H,14-15H2,1-3H3;1-2H3,(H,9,10)
• InChIKey: ZAYCRPQFDFUAHF-UHFFFAOYSA-N

Properties

• Boiling point: 357.5°C at 760 mmHg (Cal.)
• Flash point: 105.5°C (Cal.)