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-, chloride (1:1)
Basic information
- CAS
38006-74-5- 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.[Cl-]- InChIKey
BIJMEXQJDYBHGD-UHFFFAOYSA-M- Molecular formula
- C14H16F17N2O2S.Cl
- Average molar mass
- 634.8 g/mol
- Monoisotopic mass
- 634.0349554
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-, chloride (1:1)
- IUPAC
- 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium chloride
- English name
- [3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium chloride
- Molecular formula
- C14H16ClF17N2O2S
- Molecular weight
- 634.78
Names & synonyms
EINECS 253-745-03-(((Heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chloride1-Propanaminium, 3-(((heptadecafluorooctyl)sulfonyl)amino)-N,N,N-trimethyl-, chloride1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, chloride1-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-, chloride (1:1)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-, chloride (1:1)RefChem:43596038006-74-5DTXSID50880410BIJMEXQJDYBHGD-UHFFFAOYSA-M(3-(((Heptadecafluorooctyl)sulphonyl)amino)propyl)trimethylammonium chloride3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium chloride
Show more names
L-1028[3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium chloride1-Propanaminium, 3-(heptadecafluorooctyl)sulfonylamino-N,N,N-trimethyl-, chloride
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 885
Experimental & physicochemical properties
PFAS
PFAS -> non-polymer
PFAS -> OECD Category
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, chloride (38006-74-5)
- 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, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, chloride
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationIMAP assessments - Indirect Precursors of Perfluorooctane Sulfonate (PFOS): Human health tier II assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Soil Remediation -> Vapor barrier material for soil remediation
• Method for treating metallic or ceramic surfaces at high temperatures [Ref: CAS2019 (US4497720)]
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-, chloride (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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