1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, sulfate (2:1)
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Basic information
- CAS
70225-22-8- Standard SMILES
C[N+](C)(C)CCCNS(=O)(=O)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)F.O=S(=O)([O-])[O-]- InChIKey
DENZIOFHNROMAE-UHFFFAOYSA-L- Molecular formula
- C20H32F18N4O8S3
- Average molar mass
- 894.7 g/mol
- Monoisotopic mass
- 894.1094844
Names & identifiers
- Preferred name
- 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, sulfate (2:1)
- IUPAC
- bis(trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium);sulfate
- English name
- bis[trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium] sulphate
- Molecular formula
- C10H16F9N2O6S2-
- Molecular weight
- 495.35
Names & synonyms
70225-22-8EINECS 274-467-63-(((Nonafluorobutyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-(((nonafluorobutyl)sulfonyl)amino)-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)-, sulfate (2:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-, sulfate (2:1)RefChem:436043BIS[TRIMETHYL-3-[[(NONAFLUOROBUTYL)SULPHONYL]AMINO]PROPYLAMMONIUM] SULPHATEBis(trimethyl-3-(((nonafluorobutyl)sulphonyl)amino)propylammonium)sulphateDTXSID1072054DENZIOFHNROMAE-UHFFFAOYSA-L
Show more names
Bis[trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]propylammonium] sulfate
NS00090878Bis[N,N,N-trimethyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamido)propan-1-aminium] sulfate
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 16
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(nonafluorobutyl)sulfonyl]amino]-, sulfate (2:1) (70225-22-8)
- 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 InformationS - indicates a substance that is identified in a final Significant New Use Rule.
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-[[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]-, sulfate (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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