Basic information
- CAS
68957-57-3- Standard SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-]- InChIKey
MWKSAQOKDXBQAJ-UHFFFAOYSA-M- Molecular formula
- C11H16F11N2O2S.I
- Average molar mass
- 576.21 g/mol
- Monoisotopic mass
- 575.98016
Names & identifiers
- Preferred name
- 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]amino]-, iodide (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium iodide
- English name
- trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium iodide
- Molecular formula
- C11H16F11IN2O2S
- Molecular weight
- 576.21
Names & synonyms
Trimethyl-3-(((undecafluoropentyl)sulphonyl)amino)propylammonium iodideEINECS 273-349-1DTXSID308809383-(((Undecafluoropentyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide1-Propanaminium, N,N,N-trimethyl-3-(((undecafluoropentyl)sulfonyl)amino)-, iodide1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl)amino)-, iodide (1:1)TRIMETHYL-3-[[(UNDECAFLUOROPENTYL)SULPHONYL]AMINO]PROPYLAMMONIUM IODIDE1-Propanaminium, N,N,N-trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]-, iodide1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]amino]-, iodide (1:1)RefChem:77095DTXCID901022276273-349-1
Show more names
fluoroalkyl quaternary ammonium iodide (C5)Trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]propylammonium iodiden,n,n-trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]-1-propanaminiu iodi3-[[(Undecafluoropentyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium iodide
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]-, iodide (68957-57-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 1-Propanaminium, N,N,N-trimethyl-3-[[(undecafluoropentyl)sulfonyl]amino]-, iodide
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationIMAP assessments - Indirect precursors to perfluoroalkyl sulfonates: Environment tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]amino]-, iodide (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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