Basic information
- CAS
72828-75-2- Standard SMILES
CCN(CC[N+](C)(C)C)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1.O=S(=O)([O-])[O-]- InChIKey
FFANLUVXYOADEX-UHFFFAOYSA-L- Molecular formula
- C19H24Cl2N5O6S-
- Average molar mass
- 521.4 g/mol
- Monoisotopic mass
- 520.0824351
Names & identifiers
- Preferred name
- 2-((4-((2,6-Dichloro-4-nitrophenyl)azo)-phenyl)ethylamino)-N,N,N-trimethylethanaminium hydrogen sulfate
- IUPAC
- 2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-trimethylazanium sulfate
Names & synonyms
Ethanaminium, 2-((4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)ethylamino)-N,N,N-trimethyl-, sulfate (1:1)Ethanaminium, 2-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)-N,N,N-trimethyl-, sulfate (1:1)EINECS 276-887-5FFANLUVXYOADEX-UHFFFAOYSA-L2-((4-((2,6-Dichloro-4-nitrophenyl)azo)-phenyl)ethylamino)-N,N,N-trimethylethanaminium hydrogen sulfate(2-((4-((2,6-Dichloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)trimethylammonium hydrogen sulphate
Database identifiers
- CAS
72828-75-2、72828-76-3- PubChem CID
- 175190
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- -1
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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