7-[2-(Dodecylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 52943-53-0]

Identification

• Name: 7-[2-(Dodecylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[2-(Dodecylamino)Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-(Laurylamino)Ethyl]-1,3-Dimethyl-Xanthine; Brn 1171279
• Molecular Formula: C₂₁H₃₇N₅O₂
• Molecular Weight: 391.56
• CAS Registry Number: 52943-53-0
• SMILES: C1=NC2=C([N]1CCNCCCCCCCCCCCC)C(N(C(N2C)=O)C)=O
• InChI: 1S/C21H37N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-22-15-16-26-17-23-19-18(26)20(27)25(3)21(28)24(19)2/h17,22H,4-16H2,1-3H3
• InChIKey: SMZXNZSBMIOIRF-UHFFFAOYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 560.957°C at 760 mmHg (Cal.)
• Flash point: 293.056°C (Cal.)