19729-82-9
8-ETHYL-7-(2-HYDROXYETHOXY)THEOPHYLLINE
Name8-ETHYL-7-(2-HYDROXYETHOXY)THEOPHYLLINE
1Identification
【Name】
8-ETHYL-7-(2-HYDROXYETHOXY)THEOPHYLLINE
【CAS】
【MDL】
MFCD01682268
【English Synonyms】
【Formula】
C11 H16 N4 O4
【MolWeight】
268.271
【Inchi】
InChI=1S/C11H16N4O4/c1-4-7-12-9-8(15(7)19-6-5-16)10(17)14(3)11(18)13(9)2/h16H,4-6H2,1-3H3
【InChIKey】
InChIKey=YVSBJGOLSVDHHT-UHFFFAOYSA-N
【SMILES】
CCc1nc2c(n1OCCO)c(=O)n(c(=O)n2C)C
【MOL File】
8-ETHYL-7-(2-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-ETHYL-7-(2-HYDROXYETHOXY)THEOPHYLLINE.cml