Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-, ethyl ester
Basic information
- CAS
1869-77-8- Standard SMILES
CCOC(=O)CN(CC)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
LMUUXHHNCDERBQ-UHFFFAOYSA-N- Molecular formula
- C14H12F17NO4S
- Average molar mass
- 613.29 g/mol
- Monoisotopic mass
- 613.0215578
Names & identifiers
- Preferred name
- Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-, ethyl ester
- IUPAC
- ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetate
- English name
- ethyl N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
- Molecular formula
- C14H12F17NO4S
- Molecular weight
- 613.29
Names & synonyms
Glycine, N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]-, ethyl esterEINECS 217-486-7Glycine, N-ethyl-N-((heptadecafluorooctyl)sulfonyl)-, ethyl esterGlycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-, ethyl esterGlycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]-, ethyl esterRefChem:6638451869-77-8Ethyl N-ethyl-N-((heptadecafluorooctyl)sulfonyl)glycinateETHYL N-ETHYL-N-[(HEPTADECAFLUOROOCTYL)SULPHONYL]GLYCINATEEthyl N-ethyl-N-((heptadecafluorooctyl)sulphonyl)glycinateLMUUXHHNCDERBQ-UHFFFAOYSA-NWHV97BTA8A
Show more names
N-Ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine ethyl esterGlycine, N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]-, ethyl ester
ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetateDTXSID3062027FE95451Ethyl N-ethyl-N-(perfluorosulfonyl)glycinateNS00011335Ethyl N-ethyl-N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)glycinate
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 939
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 340.6 · 340.6±52.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- pka
- -10.58 · -10.58±0.70(Predicted)
- Henry's Law Constant
- 1.3 · 1.3×10-5 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- Glycine, N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]-, ethyl ester (1869-77-8)
- 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-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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