115294-86-5
7-(2-HYDROXYETHYL)-8-((2-HO-ETHYL)AMINO)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Name7-(2-HYDROXYETHYL)-8-((2-HO-ETHYL)AMINO)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
1Identification
【Name】
7-(2-HYDROXYETHYL)-8-((2-HO-ETHYL)AMINO)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD01087422
【English Synonyms】
【Formula】
C10 H15 N5 O4
【MolWeight】
269.259
【Inchi】
InChI=1S/C10H15N5O4/c1-14-7-6(8(18)13-10(14)19)15(3-5-17)9(12-7)11-2-4-16/h16-17H,2-5H2,1H3,(H,11,12)(H,13,18,19)
【InChIKey】
InChIKey=NVIKCFPMGSTSCP-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCCO)CCO
【MOL File】
7-(2-HYDROXYETHYL)-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-HYDROXYETHYL)-8-((2-HO-ETHYL)AMINO)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE.cml