Basic information
- CAS
72828-97-8- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2cc(Cl)ccc2C#N)c(C)c1.COS(=O)(=O)[O-]- InChIKey
GVVFWJHJAHHFOX-UHFFFAOYSA-M- Molecular formula
- C22H30ClN5O4S
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.1707033
Names & identifiers
- Preferred name
- Ethanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- 2-[4-[(5-chloro-2-cyanophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl-trimethylazanium;methyl sulfate
- English name
- [2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
- Molecular formula
- C22H27ClN4O4S
- Molecular weight
- 496.02
Names & synonyms
72828-97-8DTXSID10887804EINECS 276-899-02-(Ethyl(4-((2-cyano-5-chlorophenyl)azo)-3-methylphenyl)amino)-N,N,N-trimethylethanaminium methyl sulfateEthanaminium, 2-((4-((5-chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfateEthanaminium, 2-((4-(2-(5-chloro-2-cyanophenyl)diazenyl)-3-methylphenyl)ethylamino)-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[2-(5-chloro-2-cyanophenyl)diazenyl]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (1:1)Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfateRefChem:138050DTXCID601027089(2-((4-((5-Chloro-2-cyanophenyl)azo)-3-methylphenyl)ethylamino)ethyl)trimethyl methyl sulphateGVVFWJHJAHHFOX-UHFFFAOYSA-M
Show more names
[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulfate[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethyl methyl sulphate
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- EPA Substance Registry System
- 2 · Ethanaminium, 2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]-N,N,N-trimethyl-, methyl sulfate (72828-97-8)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…