Basic information
- CAS
68929-03-3- Standard SMILES
CC(=O)[O-].CCN(CC[n+]1ccccc1)c1ccc(N=Nc2cc(Cl)c(S(=O)(=O)N(C)C)cc2Cl)cc1- InChIKey
QXTKCVWOSBEYKK-UHFFFAOYSA-M- Molecular formula
- C25H29Cl2N5O4S
- Average molar mass
- 566.5 g/mol
- Monoisotopic mass
- 565.131731
Names & identifiers
- Preferred name
- Pyridinium, 1-[2-[[4-[2-[2,5-dichloro-4-[(dimethylamino)sulfonyl]phenyl]diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)
- IUPAC
- 2,5-dichloro-4-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-N,N-dimethylbenzenesulfonamide acetate
- English name
- 1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium acetate
- Molecular formula
- C25H29Cl2N5O4S
- Molecular weight
- 566.5
Names & synonyms
68929-03-3EINECS 273-034-9DTXSID80887593Pyridinium, 1-(2-((4-((2,5-dichloro-4-((dimethylamino)sulfonyl)phenyl)azo)phenyl)ethylamino)ethyl)-, acetate1-(2-((4-(4-(2,5-Dichloro-4-(dimethylsulfamoyl)phenyl)azo)phenyl)ethylamino)ethyl)pyridinium acetatePyridinium, 1-(2-((4-(2-(2,5-dichloro-4-((dimethylamino)sulfonyl)phenyl)diazenyl)phenyl)ethylamino)ethyl)-, acetate (1:1)Pyridinium, 1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulfonyl]phenyl]azo]phenyl]ethylamino]ethyl]-, acetatePyridinium, 1-[2-[[4-[2-[2,5-dichloro-4-[(dimethylamino)sulfonyl]phenyl]diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)RefChem:177623DTXCID001026883QXTKCVWOSBEYKK-UHFFFAOYSA-M1-(2-((4-((2,5-Dichloro-4-((dimethylamino)sulphonyl)phenyl)azo)phenyl)ethylamino)ethyl)pyridinium acetate
Show more names
1-[2-[[4-[4-[2,5-Dichloro-4-(dimethylsulfamoyl)phenyl]azo] phenyl]ethylamino]ethyl]pyridinium acetate1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium acetate
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 744
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyridinium, 1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulfonyl]phenyl]azo]phenyl]ethylamino]ethyl]-, acetate (68929-03-3)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-[2-[[4-[2-[2,5-dichloro-4-[(dimethylamino)sulfonyl]phenyl]diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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