2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl 4-(Diethylamino)-4-Oxobutyrate
[CAS# 12712-75-3]

Identification

• Name: 2-(1,2,3,6-Tetrahydro-1,3-Dimethyl-2,6-Dioxo-7H-Purin-7-Yl)Ethyl 4-(Diethylamino)-4-Oxobutyrate
• Synonyms: 2-(1,3-Dimethyl-2,6-Dioxo-Purin-7-Yl)Ethyl 4-Diethylamino-4-Oxo-Butanoate; 4-Diethylamino-4-Oxobutanoic Acid 2-(1,3-Dimethyl-2,6-Dioxo-7-Purinyl)Ethyl Ester; 4-Diethylamino-4-Keto-Butyric Acid 2-(2,6-Diketo-1,3-Dimethyl-Purin-7-Yl)Ethyl Ester
• Molecular Formula: C₁₇H₂₅N₅O₅
• Molecular Weight: 379.42
• CAS Registry Number: 12712-75-3
• EINECS: 235-781-9
• SMILES: C2=NC1=C(C(N(C(N1C)=O)C)=O)[N]2CCOC(CCC(N(CC)CC)=O)=O
• InChI: 1S/C17H25N5O5/c1-5-21(6-2)12(23)7-8-13(24)27-10-9-22-11-18-15-14(22)16(25)20(4)17(26)19(15)3/h11H,5-10H2,1-4H3
• InChIKey: KCFIDDRVZLDJEY-UHFFFAOYSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 609.125°C at 760 mmHg (Cal.)
• Flash point: 322.187°C (Cal.)