737778-05-1
2-PIPERAZINONE, 4,5,5-TRIMETHYL-1-(4-NITROPHENYL)-
Name2-PIPERAZINONE, 4,5,5-TRIMETHYL-1-(4-NITROPHENYL)-
1Identification
【Name】
2-PIPERAZINONE, 4,5,5-TRIMETHYL-1-(4-NITROPHENYL)-
【CAS】
【MDL】
MFCD13191841
【English Synonyms】
【Formula】
C13 H17 N3 O3
【MolWeight】
263.295
【Inchi】
InChI=1S/C13H17N3O3/c1-13(2)9-15(12(17)8-14(13)3)10-4-6-11(7-5-10)16(18)19/h4-7H,8-9H2,1-3H3
【InChIKey】
InChIKey=XITFBKZDSSAVDJ-UHFFFAOYSA-N
【SMILES】
CC1(CN(C(=O)CN1C)c2ccc(cc2)[N+](=O)[O-])C
【MOL File】
2-PIPERAZINONE, 4,5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PIPERAZINONE, 4,5,5-TRIMETHYL-1-(4-NITROPHENYL)-.cml