7-[2-Hydroxy-3-[[2-Hydroxy-2-(P-Hydroxyphenyl)Ethyl]Amino]Propyl]-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 62401-96-1]

Identification

• Name: 7-[2-Hydroxy-3-[[2-Hydroxy-2-(P-Hydroxyphenyl)Ethyl]Amino]Propyl]-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 7-[2-Hydroxy-3-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Propyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-3-[[2-Hydroxy-2-(4-Hydroxyphenyl)Ethyl]Amino]Propyl]-1,3-Dimethyl-Xanthine; Brn 1185658
• Molecular Formula: C₁₈H₂₃N₅O₅
• Molecular Weight: 389.41
• CAS Registry Number: 62401-96-1
• SMILES: C1=NC3=C([N]1CC(CNCC(C2=CC=C(C=C2)O)O)O)C(N(C(N3C)=O)C)=O
• InChI: 1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)9-13(25)7-19-8-14(26)11-3-5-12(24)6-4-11/h3-6,10,13-14,19,24-26H,7-9H2,1-2H3
• InChIKey: HQNBNESOAWELHK-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 718.515°C at 760 mmHg (Cal.)
• Flash point: 388.344°C (Cal.)