Basic information
- CAS
3871-50-9- Standard SMILES
C=O.CCC.CCN(CC(=O)[O-])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.O=C([O-])CNS(=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.[Na+].[Na+]- InChIKey
POLNOYJHHUODTP-UHFFFAOYSA-L- Molecular formula
- C26H20F34N2Na2O8S2
- Average molar mass
- 1,244.5 g/mol
- Monoisotopic mass
- 1,243.991354
Names & identifiers
- Preferred name
- Sodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
- IUPAC
- disodium;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetate;formaldehyde;2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfinylamino)acetate;propane
Names & synonyms
N-Ethyl-N-((heptadecafluorooctyl)sulfonyl)glycine, sodium saltEINECS 223-391-1Sodium N-ethyl-N-((heptadecafluorooctyl)sulphonyl)glycinateGlycine, N-ethyl-N-((heptadecafluorooctyl)sulfonyl)-, sodium saltSodium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinateRefChem:380749223-391-13871-50-9Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-, sodium salt (1:1)
Database identifiers
- CAS
3871-50-9- PubChem CID
- 77475
- EC Number
- 223-391-1
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 45
- Rotatable bonds
- 19
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,640
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.
Chemistry & industry
Uses & manufacturing
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]-, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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