N,N'-bis(Perfluoropentanoyl)1,2-ethanediamine
Basic information
- CAS
119403-53-1- Standard SMILES
O=C(NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
QVRJRHUMFTVYEN-UHFFFAOYSA-N- Molecular formula
- C12H6F18N2O2
- Average molar mass
- 552.16 g/mol
- Monoisotopic mass
- 552.0141844
Names & identifiers
- Preferred name
- N,N'-bis(Perfluoropentanoyl)1,2-ethanediamine
- IUPAC
- 2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)ethyl]pentanamide
Names & synonyms
N,N'-bis(Perfluoropentanoyl)1,2-ethanediamineDTXSID60897034119403-53-1RefChem:358425DTXCID301326472STK467411AKOS003300386NS00111163ST50926732N,N'-(Ethane-1,2-diyl)bis(2,2,3,3,4,4,5,5,5-nonafluoropentanamide)N,N'-ethane-1,2-diylbis(2,2,3,3,4,4,5,5,5-nonafluoropentanamide)2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino) ethyl]pentanamide
Database identifiers
- CAS
119403-53-1- PubChem CID
- 4148151
- DTXSID
DTXSID60897034
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 704
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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