7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
[CAS# 2572-61-4]

Identification

• Name: 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]Amino]Ethyl]-1,3-Dimethylpurine-2,6-Dione Hydrochloride
• Synonyms: 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Purine-2,6-Dione Hydrochloride; 7-[2-[[2-(3,4-Dihydroxyphenyl)-2-Hydroxy-Ethyl]Amino]Ethyl]-1,3-Dimethyl-Xanthine Hydrochloride; 7-(2-((2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl)Amino)Ethyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione Monohydrochloride
• Molecular Formula: C₁₇H₂₂ClN₅O₅
• Molecular Weight: 411.84
• CAS Registry Number: 2572-61-4
• EINECS: 219-920-0
• SMILES: [H+].C1=NC3=C([N]1CCNCC(O)C2=CC(=C(O)C=C2)O)C(=O)N(C(=O)N3C)C.[Cl-]
• InChI: 1S/C17H21N5O5.ClH/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;1H
• InChIKey: CSKCJAUXLOQTMM-UHFFFAOYSA-N

Properties

• Boiling point: 723.6°C at 760 mmHg (Cal.)
• Flash point: 391.4°C (Cal.)