7-[2-(Hexadecylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 52943-52-9]

Identification

• Name: 7-[2-(Hexadecylamino)Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[2-(Hexadecylamino)Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-(Cetylamino)Ethyl]-1,3-Dimethyl-Xanthine; Brn 1179768
• Molecular Formula: C₂₅H₄₅N₅O₂
• Molecular Weight: 447.66
• CAS Registry Number: 52943-52-9
• SMILES: C1=NC2=C([N]1CCNCCCCCCCCCCCCCCCC)C(N(C(N2C)=O)C)=O
• InChI: 1S/C25H45N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-30-21-27-23-22(30)24(31)29(3)25(32)28(23)2/h21,26H,4-20H2,1-3H3
• InChIKey: RGKLYNQJTINBKG-UHFFFAOYSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 601.351°C at 760 mmHg (Cal.)
• Flash point: 317.486°C (Cal.)