2-Propenoic acid, 2-(butyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)ethyl ester
Basic information
- CAS
68298-60-2- Standard SMILES
C=CC(=O)OCCN(CCCC)S(=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
ZGQOMXKQOOGSHP-UHFFFAOYSA-N- Molecular formula
- C16H16F15NO4S
- Average molar mass
- 603.3 g/mol
- Monoisotopic mass
- 603.0560516
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(butyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)ethyl ester
- IUPAC
- 2-[butyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate
- English name
- 2-[butyl[(pentadecafluoroheptyl)sulphonyl]amino]ethyl acrylate
- Molecular formula
- C16H16F15NO4S
- Molecular weight
- 603.34
Names & synonyms
68298-60-22-[BUTYL[(PENTADECAFLUOROHEPTYL)SULPHONYL]AMINO]ETHYL ACRYLATEEINECS 269-576-0DTXSID90713932-(Butyl((pentadecafluoroheptyl)sulphonyl)amino)ethyl acrylate2-Propenoic acid, 2-[butyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester2-Propenoic acid, 2-(((pentadecafluoroheptyl)sulfonyl)butylamino)ethyl ester2-Propenoic acid, 2-(butyl((pentadecafluoroheptyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-(butyl((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]ethyl esterRefChem:479159DTXCID9045845
Show more names
2-[Butyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl acrylatePropenoic acid 2-[butyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
269-576-0SCHEMBL31127917NS000112252-(N-Butyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamido)ethyl prop-2-enoate
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 15
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 925
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 382.6 · 382.6±52.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- pka
- -9.45 · -9.45±0.70(Predicted)
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-[butyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester (68298-60-2)
- 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
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information2-Propenoic acid, 2-[butyl[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl]amino]ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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