Basic information
- CAS
72785-08-1- Standard SMILES
CN(C)CCCN(CCCS(=O)(=O)O)S(=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
UUBYZMXGONPVTR-UHFFFAOYSA-N- Molecular formula
- C16H19F17N2O5S2
- Average molar mass
- 706.4 g/mol
- Monoisotopic mass
- 706.0463928
Names & identifiers
- Preferred name
- 3-((3-(Dimethylamino)propyl)((heptadecafluorooctyl)sulphonyl)amino)propanesulphonic acid
- IUPAC
- 3-[3-(dimethylamino)propyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]propane-1-sulfonic acid
- English name
- 3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulphonyl]amino]propanesulphonic acid
- Molecular formula
- C16H19F17N2O5S2
- Molecular weight
- 706.4353144
Names & synonyms
G5T3L6XFK41-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino]-DTXSID20725941-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((heptadecafluorooctyl)sulfonyl)amino)-1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-3-((3-(Dimethylamino)propyl)((heptadecafluorooctyl)sulphonyl)amino)propanesulphonic acid3-[[3-(DIMETHYLAMINO)PROPYL][(HEPTADECAFLUOROOCTYL)SULPHONYL]AMINO]PROPANESULPHONIC ACID3-((3-(DIMETHYLAMINO)PROPYL)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUOROOCTYL)SULFONYL)AMINO)-1-PROPANESULFONIC ACID1-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-3-[[3-(Dimethylamino)propyl][(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-1-propanesulfonic acidRefChem:198158DTXCID4047339
Show more names
3-[3-(Dimethylamino)propyl(heptadecafluorooctylsulfonyl)amino]-1-propanesulfonic acid
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,140
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Density
- 1.606 · 1.606±0.06 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.50(Predicted)
- FDA UNII
- 5 T3L6XFK4 · G5T3L6XFK4
- EPA Substance Registry System
- 1 · 1-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino]- (72785-08-1)
- 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
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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