Basic information
- CAS
70248-52-1- Standard SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])[O-]- InChIKey
YBMZDDVMZMNFRI-UHFFFAOYSA-L- Molecular formula
- C24H32F26N4O8S3
- Average molar mass
- 1,094.7 g/mol
- Monoisotopic mass
- 1,094.0967097
Names & identifiers
- Preferred 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)
- IUPAC
- bis(trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium);sulfate
- English name
- bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate
- Molecular formula
- C12H16F13N2O6S2-
- Molecular weight
- 595.37
Names & synonyms
70248-52-1EINECS 274-515-63-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-(((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)1-Propanaminium, N,N,N-trimethyl-3-[[(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)RefChem:436048Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphateBis(trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium) sulphateDTXSID5072060YBMZDDVMZMNFRI-UHFFFAOYSA-L
Show more names
Bis[trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]propylammonium] sulfatetrimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium
NS00090786Bis[N,N,N-trimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamido)propan-1-aminium] sulfate
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 36
- Rotatable bonds
- 20
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 767
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1) (70248-52-1)
- 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
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate
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-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, sulfate (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…