Basic information
- CAS
70225-26-2- 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)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)C(F)(F)C(F)(F)F.O=S(=O)([O-])[O-]- InChIKey
ZYOSJTVTMOLODL-UHFFFAOYSA-L- Molecular formula
- C28H32F34N4O8S3
- Average molar mass
- 1,294.7 g/mol
- Monoisotopic mass
- 1,294.083935
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)
- IUPAC
- bis(3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium);sulfate
Names & synonyms
70225-26-2EINECS 274-469-71-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, sulfate (2:1)1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)3-(((Heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium sulfate (2:1)1-Propanaminium, 3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, sulfate (2:1)1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, sulfate (2:1)RefChem:435962DTXSID1072056ZYOSJTVTMOLODL-UHFFFAOYSA-L(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium hydrogen sulphateNS00109195
Show more names
Bis[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamido)-N,N,N-trimethylpropan-1-aminium] sulfate
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 44
- Rotatable bonds
- 24
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 947
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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.
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, 3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, sulfate (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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