1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)
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![1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/01f9b781635441828f79ea41a8968873.png "1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)")
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)
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CAS No:
70248-52-1
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Formula:
C12H16F13N2O2S.1/2O4S
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Chemical Name:
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1)
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Synonyms:
1-Propanaminium,N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-,sulfate (2:1);1-Propanaminium,N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-,sulfate (2:1)
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CAS No:
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1) Basic Attributes
1094.6863632
1094.097
274-515-6
DTXSID5072060
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1) Use and Manufacturing
1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1): INACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Computed Properties
Molecular Weight:1094.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:36
Rotatable Bond Count:20
Exact Mass:1094.0967097
Monoisotopic Mass:1094.0967097
Topological Polar Surface Area:198
Heavy Atom Count:65
Complexity:767
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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