432037-57-5
1-[[[[2-[2-[2-[2-METHOXYETHOXY]ETHOXY]ETHOXY]ETHOXY]CARBONYL]OXY]METHYL]-4-[N'-CYANO-N''-[6-[4-CHLOROPHENOXY]HEXYL]GUANIDINO]PYRIDINIUM CHLORIDE
Name
1-[[[[2-[2-[2-[2-METHOXYETHOXY]ETHOXY]ETHOXY]ETHOXY]CARBONYL]OXY]METHYL]-4-[N'-CYANO-N''-[6-[4-CHLOROPHENOXY]HEXYL]GUANIDINO]PYRIDINIUM CHLORIDE
Formula
C30 H43 Cl N5 O8 . Cl
MolWeight
672.603
1Identification
【Name】
1-[[[[2-[2-[2-[2-METHOXYETHOXY]ETHOXY]ETHOXY]ETHOXY]CARBONYL]OXY]METHYL]-4-[N'-CYANO-N''-[6-[4-CHLOROPHENOXY]HEXYL]GUANIDINO]PYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD16038864
【English Synonyms】
【Formula】
C30 H43 Cl N5 O8 . Cl
【MolWeight】
672.603
【Inchi】
InChI=1S/C30H42ClN5O8.ClH/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28;/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34);1H
【InChIKey】
InChIKey=DAHMXVAETAAQOZ-UHFFFAOYSA-N
【SMILES】
COCCOCCOCCOCCOC(=O)OC[n+]1ccc(cc1)N/C(=N/C#N)/NCCCCCCOc2ccc(cc2)Cl.[Cl-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:13
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[[[[2-[2-[2-[2-METHOXYETHOXY]ETHOXY]ETHOXY]ETHOXY]CARBONYL]OXY]METHYL]-4-[N'-CYANO-N''-[6-[4-CHLOROPHENOXY]HEXYL]GUANIDINO]PYRIDINIUM CHLORIDE.cml
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