Basic information
- CAS
72829-23-3- Standard SMILES
CC(=O)[O-].CCN(CC[n+]1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2C#N)cc1- InChIKey
LKUAIRFCEGWJMJ-UHFFFAOYSA-M- Molecular formula
- C22H21N6O2.C2H3O2
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.18590327
Names & identifiers
- Preferred name
- Pyridinium, 1-[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)
- IUPAC
- 2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile acetate
- English name
- 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate
- Molecular formula
- C22H21N6O2.C2H3O2
- Molecular weight
- 460.49
Names & synonyms
72829-23-3EINECS 276-909-3DTXSID50887808Pyridinium, 1-(2-((4-((2-cyano-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-, acetatePyridinium, 1-(2-((4-((4-nitro-2-cyanophenyl)azo)phenyl)ethylamino)ethyl)-, acetatePyridinium, 1-(2-((4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-, acetate (1:1)Pyridinium, 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-, acetatePyridinium, 1-[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)RefChem:177635DTXCID001027093LKUAIRFCEGWJMJ-UHFFFAOYSA-MNS00090702
Show more names
1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-pyridiniu ace1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetatePyridinium,1-[2-[[4-[(4-nitro-2-cyanophenyl)azo]phenyl]ethylamino]ethyl]-,acetatePyridinium,1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-,acetatePyridinium, 1-[2-[[4-[(4-nitro-2-cyanophenyl)azo]phenyl]ethylamino]ethyl]-, acetate
Properties
Computed structural properties
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- EPA Substance Registry System
- 1 · Pyridinium, 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-, acetate (72829-23-3)
- 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.
Hazard information
Regulatory InformationChemical: Pyridinium, 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyridinium, 1-[2-[[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1): INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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