Basic information
- CAS
70225-25-1- 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- InChIKey
FGTDPZOJJFPWCB-UHFFFAOYSA-N- Molecular formula
- C14H16F17N2O2S+
- Average molar mass
- 599.33 g/mol
- Monoisotopic mass
- 599.0661027
Names & identifiers
- Preferred name
- 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonylamino)propyl-trimethylazanium
- IUPAC
- 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazanium
Names & synonyms
Perfluorooctanesulfonamido ammonium70225-25-13-(Perfluorooctanesulfonamido)-N,N,N-trimethylpropan-1-aminiumqaPFSMa n=83-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-trimethylazaniumSCHEMBL15462483DTXSID10859667FGTDPZOJJFPWCB-UHFFFAOYSA-N3-[[(Heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminiumNS00011402N-Trimethylammoniopropyl perfluorooctane sulfonamide[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8- heptadecafluorooctanesulfonamido)propyl]trimethylazanium iodide
Show more names
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
Database identifiers
- CAS
70225-25-1- PubChem CID
- 84097
- DTXSID
DTXSID10859667- Nikkaji
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 1
- Complexity
- 885
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS (perfluoroalkanesulfonamido quaternary ammonium, n=8)
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Plastics, Rubber and Resins -> Antistatic in rubber and plastic
• AFFF (detected) [Ref: https://doi.org/10.1021/acs.est.6b05843]
Use ClassificationPFAS (perfluoroalkanesulfonamido quaternary ammonium, n=8)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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