Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl)-, ethyl ester
Basic information
- CAS
68555-79-3- Standard SMILES
CCOC(=O)CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YEORWLLYWQFDEW-UHFFFAOYSA-N- Molecular formula
- C11H12F11NO4S
- Average molar mass
- 463.27 g/mol
- Monoisotopic mass
- 463.03113882
Names & identifiers
- Preferred name
- Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate
- English name
- ethyl N-ethyl-N-[(undecafluoropentyl)sulphonyl]glycinate
- Molecular formula
- C11H12F11NO4S
- Molecular weight
- 463.26
Names & synonyms
Ethyl N-ethyl-N-((undecafluoropentyl)sulfonyl)glycinate68555-79-3EINECS 271-457-3DTXSID1071668Glycine, N-ethyl-N-[(undecafluoropentyl)sulfonyl]-, ethyl esterEthyl N-ethyl-N-((undecafluoropentyl)sulphonyl)glycinateGlycine, N-ethyl-N-((undecafluoropentyl)sulfonyl)-, ethyl esterGlycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl)-, ethyl esterETHYL N-ETHYL-N-[(UNDECAFLUOROPENTYL)SULPHONYL]GLYCINATEGlycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]-, ethyl esterRefChem:663836DTXCID1046138
Show more names
N-Ethyl-N-[(undecafluoropentyl)sulfonyl]glycine ethyl ester
271-457-3YEORWLLYWQFDEW-UHFFFAOYSA-NNS00011312Ethyl N-ethyl-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonyl)glycinate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 669
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 303.1 · 303.1±52.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- -10.81 · -10.81±0.70(Predicted)
- EPA Substance Registry System
- Glycine, N-ethyl-N-[(undecafluoropentyl)sulfonyl]-, ethyl ester (68555-79-3)
- 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 InformationGlycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]-, ethyl ester: INACTIVE
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Compound notes
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