7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-8-Morpholinotheophyline
[CAS# 62402-01-1]

Identification

• Name: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-8-Morpholinotheophyline
• Synonyms: 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-8-Morpholino-Purine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Propyl]-1,3-Dimethyl-8-Morpholinopurine-2,6-Dione; 7-[3-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Propyl]-1,3-Dimethyl-8-Morpholino-Xanthine
• Molecular Formula: C₂₂H₃₀N₆O₆
• Molecular Weight: 474.52
• CAS Registry Number: 62402-01-1
• SMILES: C4=C(C(O)CNCCC[N]1C(=NC2=C1C(=O)N(C(=O)N2C)C)N3CCOCC3)C=CC(=C4O)O
• InChI: 1S/C22H30N6O6/c1-25-19-18(20(32)26(2)22(25)33)28(21(24-19)27-8-10-34-11-9-27)7-3-6-23-13-17(31)14-4-5-15(29)16(30)12-14/h4-5,12,17,23,29-31H,3,6-11,13H2,1-2H3
• InChIKey: XTDJYRRJDWTRSJ-UHFFFAOYSA-N

Properties

• Density: 1.501g/cm³ (Cal.)
• Boiling point: 774.701°C at 760 mmHg (Cal.)
• Flash point: 422.324°C (Cal.)