105522-57-4
7-(2-PHENOXYETHYL)-8-((2-HYDROXYETHYL)AMINO)-3-METHYLXANTHINE
Name7-(2-PHENOXYETHYL)-8-((2-HYDROXYETHYL)AMINO)-3-METHYLXANTHINE
1Identification
【Name】
7-(2-PHENOXYETHYL)-8-((2-HYDROXYETHYL)AMINO)-3-METHYLXANTHINE
【CAS】
【MDL】
MFCD01087641
【English Synonyms】
【Formula】
C16 H19 N5 O4
【MolWeight】
345.357
【Inchi】
InChI=1S/C16H19N5O4/c1-20-13-12(14(23)19-16(20)24)21(15(18-13)17-7-9-22)8-10-25-11-5-3-2-4-6-11/h2-6,22H,7-10H2,1H3,(H,17,18)(H,19,23,24)
【InChIKey】
InChIKey=SMCLVHVZVVGNSQ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCCO)CCOc3ccccc3
【MOL File】
7-(2-PHENOXYETHYL)-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-PHENOXYETHYL)-8-((2-HYDROXYETHYL)AMINO)-3-METHYLXANTHINE.cml