Basic information
- CAS
68555-77-1- Standard SMILES
CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
XMRMVBVJGSKMEN-UHFFFAOYSA-N- Molecular formula
- C9H13F9N2O2S
- Average molar mass
- 384.26 g/mol
- Monoisotopic mass
- 384.05540229
Names & identifiers
- Preferred name
- 1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-
- IUPAC
- N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
- English name
- N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide
- Molecular formula
- C9H13F9N2O2S
- Molecular weight
- 384.26
Names & synonyms
EINECS 271-455-21-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-N-(3-(Dimethylamino)propyl)-nonafluoro-1-butanesulfonamide1-Butanesulfonamide, N-(3-(dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluoro-RefChem:43085068555-77-1N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamideN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamideN-[3-(Dimethylamino)propyl] Nonafluoro-1-butanesulfonamidePerfluorobutane sulfonamido amineN-[3-(dimethylamino)propyl]-(perfluorobutane-1-sulfonamide)Perfluorobutane-N-(3-(dimethylamino)propyl)-1-sulfonamide sulfonamido amine
Show more names
N-[3-(Dimethylamino)propyl]perfluoro-1-butanesulfonamideN-[3-(Dimethylamino)propyl]perfluoro-1-butanesulfonamide in MethanolN-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-1-Butane sulfonamide
N-(3-(Dimethylamino)propyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-; N-[3-(Dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide; N-[3-(Dimethylamino)propyl]perfluoro-1-butanesulfonamidePSPDAAm-PFSM n=4DTXSID1071666SCHEMBL22091553MFCD35248726C4F9SO2N(H)C3H6N(CH3)2
Database identifiers
- CAS
68555-77-1- PubChem CID
- 110558
- DTXSID
DTXSID1071666- EC Number
- 271-455-2
- Nikkaji
- J305.152H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 263.7 · 263.7±50.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 5 · 5.00±0.40(Predicted)
- color
- White to Off-White
- Henry's Law Constant
- 2.1 · 2.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 1 · 1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro- (68555-77-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Fire-Fighting Foam -> Aqueous film-forming foams (AFFF)
• AFFF (detected) [Ref: https://doi.org/10.1021/es403729e]
Use Classification
PFAS (perfluorobutanesulfonamido amine, n =4)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanesulfonamide, N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-: ACTIVE
Applications
UsesN-[3-(Dimethylamino)propyl] Nonafluoro-1-butanesulfonamide is a potential pollutant of groundwater and drinking water among other harmful per- and polyfluoroalkyl substances (PFAS).
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
杭州孚泽医药科技有限公司0572-0571-82870240 13586109179
Related reactions
1 records
Compound notes
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