1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-
Basic information
- CAS
68555-78-2- Standard SMILES
CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
VGJZPFMDBNZBTG-UHFFFAOYSA-N- Molecular formula
- C5F11SO2NHCH2CH2CH2N(CH3)2
- Average molar mass
- 434.27 g/mol
- Monoisotopic mass
- 434.05220862
Names & identifiers
- Preferred name
- 1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-
- IUPAC
- N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamide
- English name
- N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide
- Molecular formula
- C10H13F11N2O2S
- Molecular weight
- 434.27
Names & synonyms
EINECS 271-456-8N-(3-(Dimethylamino)propyl)undecafluoro-1-pentanesulfonamide1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-1-Pentanesulfonamide, N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-RefChem:43536668555-78-2Perfluoropentane sulfonamido amineN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamideN-[3-(Dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-1-pentanesulfonamideN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamideN-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonamideN-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide
Show more names
N-[3-(Dimethylamino)propyl]perfluoro-1-pentanesulfonamide
Am-PFSM n=5DTXSID6071667perfluoropentanesulfonamido amine, n =5NS00011244
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 581
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS (perfluoropentanesulfonamido amine, n =5)
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 277.4 · 277.4±50.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 5.32 · 5.32±0.40(Predicted)
- EPA Substance Registry System
- 1 · 1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro- (68555-78-2)
- 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 InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Fire-Fighting Foam -> Aqueous film-forming foams (AFFF)
• AFFF (detected) [Ref: https://doi.org/10.1021/es403729e]
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS (perfluoropentanesulfonamido amine, n =5)
General Manufacturing Information1-Pentanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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