7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 13460-98-5]

Identification

• Name: 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Ethyl]-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Xanthine; 5-26-14-00012 (Beilstein Handbook Reference)
• Molecular Formula: C₁₇H₂₁N₅O₅
• Molecular Weight: 375.38
• CAS Registry Number: 13460-98-5
• SMILES: C1=NC3=C([N]1CCNCC(C2=CC(=C(O)C=C2)O)O)C(N(C)C(N3C)=O)=O
• InChI: 1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
• InChIKey: WMCMJIGLYZDKRN-UHFFFAOYSA-N

Properties

• Desity: 1.519g/cm³ (Cal.)
• Boiling point: 723.607°C at 760 mmHg (Cal.)
• Flash point: 391.423°C (Cal.)