2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl ester
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Basic information
- CAS
1492-87-1- Standard SMILES
C=CC(=O)OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
PGYDZCBTWHHAQX-UHFFFAOYSA-N- Molecular formula
- C12H14F9NO4S
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 439.04998256
Names & identifiers
- Preferred name
- 2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl ester
- IUPAC
- 4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl prop-2-enoate
- English name
- 4-[methyl[(nonafluorobutyl)sulphonyl]amino]butyl acrylate
- Molecular formula
- C12H14F9NO4S
- Molecular weight
- 439.2944888
Names & synonyms
EINECS 216-085-42-Propenoic acid, 4-[methyl[(nonafluorobutyl)sulfonyl]amino]butyl ester4-(((Nonafluorobutyl)sulfonyl)methylamino)butyl 2-propenoate2-Propenoic acid, 4-(methyl((nonafluorobutyl)sulfonyl)amino)butyl ester2-Propenoic acid, 4-(methyl((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)butyl ester2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl esterRefChem:4820931492-87-14-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butyl prop-2-enoateE64PZY8FYVSCHEMBL7906779DTXSID2061729
Show more names
4-[methyl[(nonafluorobutyl)sulphonyl]amino]butyl acrylatePropenoic acid 4-[methyl[(nonafluorobutyl)sulfonyl]amino]butyl ester
4-(Methyl((nonafluorobutyl)sulphonyl)amino)butyl acrylateNS000112194-(Methyl((nonafluorobutyl)sulfonyl)amino)butyl acrylate4-(Methyl((nonafluorobutyl)sulfonyl)amino)butyl prop-2-enoate4-(1,1,2,2,3,3,4,4,4-Nonafluoro-N-methylbutane-1-sulfonamido)butyl prop-2-enoate4-[Methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl 2-propenoate
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 4-[methyl[(nonafluorobutyl)sulfonyl]amino]butyl ester (1492-87-1)
- 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 Information2-Propenoic acid, 4-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]butyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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