1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, chloride (1:1)
Basic information
- CAS
52166-82-2- 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.[Cl-]- InChIKey
RMPHRYCBGYJIDS-UHFFFAOYSA-M- Molecular formula
- C12H16F13N2O2S.Cl
- Average molar mass
- 534.77 g/mol
- Monoisotopic mass
- 534.0413427
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)-, chloride (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium chloride
- English name
- trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride
- Molecular formula
- C12H16ClF13N2O2S
- Molecular weight
- 534.7648816
Names & synonyms
EINECS 257-698-71-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, chloride1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, chloride3-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, chloride (1:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, chloride (1:1)RefChem:4360461-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, chloride52166-82-2Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium chlorideDTXSID90880454DB-267039
Show more names
trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride
NS00089999Trimethyl-3-(perfluorohexyl)sulphonylaminopropylammonium chlorideTrimethyl-3-[[(tridecafluorohexyl)sulphonyl ]amino]propylammonium chlorideN,N,N-Trimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamido)propan-1-aminium chloride
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, chloride (52166-82-2)
- 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-[[(tridecafluorohexyl)sulfonyl]amino]-, chloride
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride
1-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Indirect precursors to perfluoroalkyl sulfonates: Environment tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Photographic Industry -> Photographic material
• Reducing or eliminating the chargeability of photographic material [Ref: CAS2019 (DE2337638A1)]
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]-, chloride (1:1): ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…