2001-73-2
1,1'-(1,4-PIPERAZINEDIYLBIS(CARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
Name1,1'-(1,4-PIPERAZINEDIYLBIS(CARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
FormulaC20 H38 N4 O2 . 2 I
1Identification
【Name】
1,1'-(1,4-PIPERAZINEDIYLBIS(CARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE)
【CAS】
【MDL】
MFCD01699655
【English Synonyms】
【Formula】
C20 H38 N4 O2 . 2 I
【MolWeight】
620.346
【Inchi】
InChI=1S/C20H38N4O2.2HI/c1-23(13-5-3-6-14-23)17-19(25)21-9-11-22(12-10-21)20(26)18-24(2)15-7-4-8-16-24;;/h3-18H2,1-2H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=PTFIEDLMDKXWLF-UHFFFAOYSA-L
【SMILES】
C[N+]1(CCCCC1)CC(=O)N2CCN(CC2)C(=O)C[N+]3(CCCCC3)C.[I-].[I-]
【MOL File】
1,1'-(1,4-PIPERAZINE….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
1,1'-(1,4-PIPERAZINEDIYLBIS(CARBONYLMETHYLENE))BIS(1-METHYLPIPERIDINIUM IODIDE).cml