Ethanaminium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoate
Basic information
- CAS
68015-87-2- Standard SMILES
CC[NH3+].O=C([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)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
DDJCBWZGWXXGAS-UHFFFAOYSA-N- Molecular formula
- C15H8F25NO2
- Average molar mass
- 709.19 g/mol
- Monoisotopic mass
- 709.0155825
Names & identifiers
- Preferred name
- Ethanaminium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoate
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoate;ethylazanium
- English name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)lauric acid, compound with ethylamine (1:1)
- Molecular formula
- C15H8F25NO2
- Molecular weight
- 709.19
Names & synonyms
NS00110911Ethanaminium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoateEinecs 268-152-22,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)lauric acid, compound with ethylamine (1:1)Dodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-, compd. with ethanamine (1:1)
Database identifiers
- CAS
68015-87-2- PubChem CID
- 73556232
- DTXSID
DTXSID6070986
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 949
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 2 · Dodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-, compd. with ethanamine (1:1) (68015-87-2)
- 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.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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