N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
Basic information
- CAS
1814-80-8- Standard SMILES
O=C(NCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
HSZXWSFEBIXCLM-UHFFFAOYSA-N- Molecular formula
- C13H12F14N2O2
- Average molar mass
- 494.22 g/mol
- Monoisotopic mass
- 494.0675219
Names & identifiers
- Preferred name
- N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-N-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)pentyl]butanamide
Names & synonyms
N,N'-bis(Perfluorobutanoyl)1,5-pentanediamineDTXSID308970211814-80-8RefChem:358419DTXCID001326459STK445750AKOS003242564NS00110146ST50908323N,N'-(Pentane-1,5-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)N,N'-pentane-1,5-diylbis(2,2,3,3,4,4,4-heptafluorobutanamide)2,2,3,3,4,4,4-heptafluoro-N-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)pentyl] butanamide
Database identifiers
- CAS
1814-80-8- PubChem CID
- 3089628
- DTXSID
DTXSID30897021
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
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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