7-[3-[1-(3,4-Dihydroxyphenyl)Propan-2-Ylamino]Propyl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 74051-78-8]

Identification

• Name: 7-[3-[1-(3,4-Dihydroxyphenyl)Propan-2-Ylamino]Propyl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-[3-[[2-(3,4-Dihydroxyphenyl)-1-Methyl-Ethyl]Amino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-1-Methylethyl]Amino]Propyl]-1,3-Dimethylpurine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-1-Methyl-Ethyl]Amino]Propyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₁₉H₂₅N₅O₄
• Molecular Weight: 387.44
• CAS Registry Number: 74051-78-8
• SMILES: C1=NC3=C([N]1CCCNC(CC2=CC=C(O)C(=C2)O)C)C(=O)N(C(=O)N3C)C
• InChI: 1S/C19H25N5O4/c1-12(9-13-5-6-14(25)15(26)10-13)20-7-4-8-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h5-6,10-12,20,25-26H,4,7-9H2,1-3H3
• InChIKey: LAFLZDCWCYTSOV-UHFFFAOYSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 668.166°C at 760 mmHg (Cal.)
• Flash point: 357.894°C (Cal.)