N-(3-Triethoxysilylpropyl)perfluorooctanoamide
Basic information
- CAS
37043-12-2- Standard SMILES
CCO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC- InChIKey
WTEXGKUNHMKALI-UHFFFAOYSA-N- Molecular formula
- C17H22F15NO4Si
- Average molar mass
- 617.4 g/mol
- Monoisotopic mass
- 617.1078571
Names & identifiers
- Preferred name
- N-(3-Triethoxysilylpropyl)perfluorooctanoamide
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-triethoxysilylpropyl)octanamide
- English name
- N-(3-TRIETHOXYSILYLPROPYL)PERFLUOROOCTANOAMIDE
- Molecular formula
- C17H22F15NO4Si
- Molecular weight
- 617.42
Names & synonyms
N-(3-Triethoxysilylpropyl)perfluorooctanoamide37043-12-2DTXSID50190546RefChem:361513DTXCID901130372,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(3-triethoxysilylpropyl)octanamideSCHEMBL3269136WTEXGKUNHMKALI-UHFFFAOYSA-N2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(triethoxysilyl)propyl]octanamideNS00110523Octanamide, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(triethoxysilyl)propyl]-
Database identifiers
- CAS
37043-12-2- PubChem CID
- 142126
- DTXSID
DTXSID50190546- Nikkaji
- J2.536.348E
Properties
Computed structural properties
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 775
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 111 · 111-115°C 0,04mm
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.46(Predicted)
- InChI
- InChI=1S/C17H22F15NO4Si/c1-4-35-38(36-5-2,37-6-3)9-7-8-33-10(34)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h4-9H2,1-3H3,(H,33,34)
- InChIKey
- WTEXGKUNHMKALI-UHFFFAOYSA-N
- SMILES
- C(NCCC[Si](OCC)(OCC)OCC)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- EPA Substance Registry System
- N-(3-Triethoxysilylpropyl)perfluorooctanoamide (37043-12-2)
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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