3-(Perfluoroheptanesulfonamido)-N,N,N-trimethylpropan-1-aminium
Basic information
- CAS
70225-19-3- 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- InChIKey
QHNLSCKDDZDPTI-UHFFFAOYSA-N- Molecular formula
- C13H16F15N2O2S+
- Average molar mass
- 549.32 g/mol
- Monoisotopic mass
- 549.0692964
Names & identifiers
- Preferred name
- 3-(Perfluoroheptanesulfonamido)-N,N,N-trimethylpropan-1-aminium
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)propyl]azanium
Names & synonyms
3-(Perfluoroheptanesulfonamido)-N,N,N-trimethylpropan-1-aminiumqaPFSMa n=7DTXSID5086728170225-19-3NS00011417N-Trimethylammoniopropyl perfluoroheptane sulfonamideN,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
Database identifiers
- CAS
70225-19-3- PubChem CID
- 105451
- DTXSID
DTXSID50867281- Nikkaji
- J283.173B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 794
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS (perfluoroalkanesulfonamido quaternary ammonium, n=7)
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Chemistry & industry
Uses & manufacturing
Uses• AFFF (detected) [Ref: https://doi.org/10.1021/acs.est.6b05843]
Use ClassificationPFAS (perfluoroalkanesulfonamido quaternary ammonium, n=7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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