24459-79-8
4-PIPECOLINIUM, 1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(1-METHYL-, DIIODIDE
Name4-PIPECOLINIUM, 1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(1-METHYL-, DIIODIDE
FormulaC30 H42 N2 O2 . 2 I
1Identification
【Name】
4-PIPECOLINIUM, 1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(1-METHYL-, DIIODIDE
【CAS】
【MDL】
MFCD01748366
【English Synonyms】
【Formula】
C30 H42 N2 O2 . 2 I
【MolWeight】
716.474
【Inchi】
InChI=1S/C30H42N2O2.2HI/c1-23-13-17-31(3,18-14-23)21-29(33)27-9-5-25(6-10-27)26-7-11-28(12-8-26)30(34)22-32(4)19-15-24(2)16-20-32;;/h5-12,23-24H,13-22H2,1-4H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=CVMFLGWHIFTAHI-UHFFFAOYSA-L
【SMILES】
CC1CC[N+](CC1)(C)CC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)C[N+]4(CCC(CC4)C)C.[I-].[I-]
【MOL File】
4-PIPECOLINIUM, 1,1'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PIPECOLINIUM, 1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(1-METHYL-, DIIODIDE.cml