59234-94-5
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXODECYL)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXODECYL)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXODECYL)-
【CAS】
【MDL】
MFCD18809301
【English Synonyms】
【Formula】
C17 H26 N4 O3
【MolWeight】
334.417
【Inchi】
InChI=1S/C17H26N4O3/c1-4-5-6-7-8-9-10-11-13(22)21-12-18-15-14(21)16(23)20(3)17(24)19(15)2/h12H,4-11H2,1-3H3
【InChIKey】
InChIKey=FEBCBUPKKYFRBV-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCC(=O)n1cnc2c1c(=O)n(c(=O)n2C)C
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXODECYL)-.cml