7-(2-(2-(2,6-Dichlorophenyl)-3,3-Dimethylguanidino)Ethyl)Theophylline Hydrochloride
[CAS# 85461-01-4]

Identification

• Name: 7-(2-(2-(2,6-Dichlorophenyl)-3,3-Dimethylguanidino)Ethyl)Theophylline Hydrochloride
• Synonyms: 3-(2,6-Dichlorophenyl)-2-[2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl]-1,1-Dimethyl-Guanidine; 3-(2,6-Dichlorophenyl)-2-[2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl]-1,1-Dimethylguanidine; 3-(2,6-Dichlorophenyl)-2-[2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl]-1,1-Dimethyl-Guanidine
• Molecular Formula: C₁₈H₂₁Cl₂N₇O₂
• Molecular Weight: 438.32
• CAS Registry Number: 85461-01-4
• SMILES: C1=NC3=C([N]1CCN=C(NC2=C(Cl)C=CC=C2Cl)N(C)C)C(=O)N(C(=O)N3C)C
• InChI: 1S/C18H21Cl2N7O2/c1-24(2)17(23-13-11(19)6-5-7-12(13)20)21-8-9-27-10-22-15-14(27)16(28)26(4)18(29)25(15)3/h5-7,10H,8-9H2,1-4H3,(H,21,23)
• InChIKey: XHJIEWYFHPTOEI-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 605.795°C at 760 mmHg (Cal.)
• Flash point: 320.174°C (Cal.)