7-[2-[[2-(4-Hydroxyphenyl)-1-Methylethyl]Amino]Ethyl]-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
[CAS# 62401-66-5]

Identification

• Name: 7-[2-[[2-(4-Hydroxyphenyl)-1-Methylethyl]Amino]Ethyl]-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
• Synonyms: 7-[2-[[2-(4-Hydroxyphenyl)-1-Methyl-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-[[2-(4-Hydroxyphenyl)-1-Methylethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione; 7-[2-[[2-(4-Hydroxyphenyl)-1-Methyl-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Xanthine
• Molecular Formula: C₁₈H₂₃N₅O₃
• Molecular Weight: 357.41
• CAS Registry Number: 62401-66-5
• SMILES: C1=NC3=C([N]1CCNC(CC2=CC=C(C=C2)O)C)C(N(C(N3C)=O)C)=O
• InChI: 1S/C18H23N5O3/c1-12(10-13-4-6-14(24)7-5-13)19-8-9-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h4-7,11-12,19,24H,8-10H2,1-3H3
• InChIKey: IUTSTDHDOQOTLF-UHFFFAOYSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 617.863°C at 760 mmHg (Cal.)
• Flash point: 327.472°C (Cal.)