2-((((5-(((2-(Ethyl((nonafluorobutyl)sulphonyl)amino)ethoxy)carbonyl)amino)-2-methylphenyl)amino)carbonyl)oxy)propyl methacrylate
Basic information
- CAS
68298-76-0- Standard SMILES
C=C(C)C(=O)OCC(C)OC(=O)Nc1cc(NC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1C- InChIKey
ZNHAMOMCVOBRLM-UHFFFAOYSA-N- Molecular formula
- C24H28F9N3O8S
- Average molar mass
- 689.5 g/mol
- Monoisotopic mass
- 689.14533949
Names & identifiers
- Preferred name
- 2-((((5-(((2-(Ethyl((nonafluorobutyl)sulphonyl)amino)ethoxy)carbonyl)amino)-2-methylphenyl)amino)carbonyl)oxy)propyl methacrylate
- IUPAC
- 2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
- English name
- 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate
- Molecular formula
- C24H28F9N3O8S
- Molecular weight
- 689.54
Names & synonyms
68298-76-02-((((5-(((2-(Ethyl((nonafluorobutyl)sulphonyl)amino)ethoxy)carbonyl)amino)-2-methylphenyl)amino)carbonyl)oxy)propyl methacrylate2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl esterEINECS 269-581-8DTXSID40880606ZNHAMOMCVOBRLM-UHFFFAOYSA-NNS000192062-({[5-({[2-(N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamido)ethoxy]carbonyl}amino)-2-methylphenyl]carbamoyl}oxy)propyl 2-methylprop-2-enoate2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulphonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate2-Methylpropenoic acid 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester (9CI)
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,180
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 2-methyl-, 2-[[[[5-[[[2-[ethyl[(nonafluorobutyl)sulfonyl]amino]ethoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl ester (68298-76-0)
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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