Basic information
- CAS
6416-29-1- Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Na+]- InChIKey
OEMZQOVLGMSSNG-UHFFFAOYSA-M- Molecular formula
- C33H34N5NaO10S2
- Average molar mass
- 747.8 g/mol
- Monoisotopic mass
- 747.16447857
Names & identifiers
- Preferred name
- Ethanaminium, N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1)
- IUPAC
- sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-(2,4-dinitroanilino)benzene-1,3-disulfonate
- English name
- hydrogen [4-[4-(diethylamino)-5'-(2,4-dinitroanilino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, monosodium salt
- Molecular formula
- C33H37N6NaO10S2
- Molecular weight
- 764.80085
Names & synonyms
C.I. Acid Green 8EINECS 229-122-4Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-((2,4-dinitrophenyl)amino)-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, monosodium saltEthanaminium, N-(4-((4-(diethylamino)phenyl)(5-((2,4-dinitrophenyl)amino)-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt (1:1)Ethanaminium, N-(4-((4-(diethylamino)phenyl)(5-((2,4-dinitrophenyl)amino)-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, monosodium saltEthanaminium, N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, monosodium saltEthanaminium, N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1)RefChem:5915906416-29-1Hydrogen (4-(4-(diethylamino)-5'-(2,4-dinitroanilino)-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, monosodium saltSCHEMBL30443588DTXSID10982666
Show more names
C.I.42050C.I.Acid Green 8Acilan Fast Green BBFhydrogen [4-[4-(diethylamino)-5'-(2,4-dinitroanilino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, monosodium saltN-Ethyl-N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2-sulfonato-4-sodiosulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]ethanaminiumEthanaminium, N-[4-[[4-(diethylamino)phenyl] [5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl ]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethy l-, hydroxide, inner salt, monosodium salt
OEMZQOVLGMSSNG-UHFFFAOYSA-MSodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-6-(2,4-dinitroanilino)benzene-1,3-disulfonate
Database identifiers
- CAS
6416-29-1- PubChem CID
- 160830
- DTXSID
DTXSID10982666- EC Number
- 229-122-4
Properties
Computed structural properties
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- EPA Substance Registry System
- 8 · C.I. Acid Green 8 (6416-29-1)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: Ethanaminium, N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, monosodium salt
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 InformationEthanaminium, N-[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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