7-[2-[4,5-Dimethyl-5-Hydroxyhexyl(Phenethyl)Amino]Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 52943-54-1]

Identification

• Name: 7-[2-[4,5-Dimethyl-5-Hydroxyhexyl(Phenethyl)Amino]Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[2-[(5-Hydroxy-1,5-Dimethyl-Hexyl)-(2-Phenylethyl)Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[(5-Hydroxy-1,5-Dimethylhexyl)-(2-Phenylethyl)Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-[(5-Hydroxy-1,5-Dimethyl-Hexyl)-(2-Phenylethyl)Amino]Ethyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₂₅H₃₇N₅O₃
• Molecular Weight: 455.60
• CAS Registry Number: 52943-54-1
• SMILES: C1=NC3=C([N]1CCN(CCC2=CC=CC=C2)C(CCCC(C)(C)O)C)C(N(C(N3C)=O)C)=O
• InChI: 1S/C25H37N5O3/c1-19(10-9-14-25(2,3)33)29(15-13-20-11-7-6-8-12-20)16-17-30-18-26-22-21(30)23(31)28(5)24(32)27(22)4/h6-8,11-12,18-19,33H,9-10,13-17H2,1-5H3
• InChIKey: JHLORYPPELPTBX-UHFFFAOYSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 644.084°C at 760 mmHg (Cal.)
• Flash point: 343.33°C (Cal.)