Basic information
- CAS
13285-40-0- Standard SMILES
C=C(C)C(=O)OCCN(CCC)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
XBWYIWRSPVIPCH-UHFFFAOYSA-N- Molecular formula
- C17H16F17NO4S
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 653.0528579
Names & identifiers
- Preferred name
- 2-(((Heptadecafluorooctyl)sulphonyl)propylamino)ethyl methacrylate
- IUPAC
- 2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl 2-methylprop-2-enoate
- English name
- 2-[[(heptadecafluorooctyl)sulphonyl]propylamino]ethyl methacrylate
- Molecular formula
- C17H16F17NO4S
- Molecular weight
- 653.35
Names & synonyms
13285-40-02-(((Heptadecafluorooctyl)sulphonyl)propylamino)ethyl methacrylate2-[[(heptadecafluorooctyl)sulphonyl]propylamino]ethyl methacrylate2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl 2-methylprop-2-enoateSCHEMBL632477DTXSID90880217EINECS 236-298-6FH97996NS000113432-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-propyloctane-1-sulfonamido)ethyl 2-methylprop-2-enoateMethacrylic acid 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl esterMethacrylic acid 2-[N-propyl-N-(heptadecafluorooctylsulfonyl)amino]ethyl ester
Show more names
2-Propenoic acid, 2-methyl-, 2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 393.4 · 393.4±52.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- -9.43 · -9.43±0.70(Predicted)
- EPA Substance Registry System
- 2 · 2-(((Heptadecafluorooctyl)sulphonyl)propylamino)ethyl methacrylate (13285-40-0)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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