Basic information
- CAS
68555-81-7- 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)F.[Cl-]- InChIKey
DEWPQMPVQKTNFF-UHFFFAOYSA-M- Molecular formula
- C13H16F15N2O2S.Cl
- Average molar mass
- 584.77 g/mol
- Monoisotopic mass
- 584.0381491
Names & identifiers
- Preferred name
- 1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium chloride
- English name
- trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium chloride
- Molecular formula
- C13H16ClF15N2O2S
- Molecular weight
- 584.77
Names & synonyms
68555-81-7Trimethyl-3-(((pentadecafluoroheptyl)sulphonyl)amino)propylammonium chlorideEINECS 271-459-4DTXSID308806153-(((Pentadecafluoroheptyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium chlorideTRIMETHYL-3-[[(PENTADECAFLUOROHEPTYL)SULPHONYL]AMINO]PROPYLAMMONIUM CHLORIDE1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)-, chloride (1:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1)RefChem:77096DTXCID701021989271-459-41-Propanaminium, N,N,N-trimethyl-3-(((pentadecafluoroheptyl)sulfonyl)amino)-, chloride
Show more names
fluoroalkyl quaternary ammonium chloride (C7)1-Propanaminium, N,N,N-trimethyl-3-(pentadecafluoroheptyl)sulfonylamino-, chloridetrimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
1-Propanaminium, N,N,N-trimethyl-3-[[(pentadecafluoroheptyl)sulfonyl]amino]-, chlorideNS00092065N,N,N-Trimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamido)propan-1-aminium chloride
Database identifiers
- CAS
68555-81-7- PubChem CID
- 110562
- DTXSID
DTXSID30880615- EC Number
- 271-459-4
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 794
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(pentadecafluoroheptyl)sulfonyl]amino]-, chloride (68555-81-7)
- 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-[[(pentadecafluoroheptyl)sulfonyl]amino]-, chloride
S - indicates a substance that is identified in a final Significant New Use Rule.
1-Propanaminium, N,N,N-trimethyl-3-(pentadecafluoroheptyl)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
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]-, chloride (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…