545369-40-2
2,4-PENTANEDIONE, 3-(2-ETHYL-4-METHYL-1,2,3-TRIAZIN-5(2H)-YLIDENE)-
Name2,4-PENTANEDIONE, 3-(2-ETHYL-4-METHYL-1,2,3-TRIAZIN-5(2H)-YLIDENE)-
1Identification
【Name】
2,4-PENTANEDIONE, 3-(2-ETHYL-4-METHYL-1,2,3-TRIAZIN-5(2H)-YLIDENE)-
【CAS】
【MDL】
MFCD18812359
【English Synonyms】
【Formula】
C11 H15 N3 O2
【MolWeight】
221.258
【Inchi】
InChI=1S/C11H15N3O2/c1-5-14-12-6-10(7(2)13-14)11(8(3)15)9(4)16/h6H,5H2,1-4H3
【InChIKey】
InChIKey=JILQAPTVBMUZFL-UHFFFAOYSA-N
【SMILES】
CCN1N=CC(=C(C(=O)C)C(=O)C)C(=N1)C
【MOL File】
2,4-PENTANEDIONE, 3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-PENTANEDIONE, 3-(2-ETHYL-4-METHYL-1,2,3-TRIAZIN-5(2H)-YLIDENE)-.cml