1-Naphthalenesulfonic acid, 2-[2-[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-6-[[2-(sulfooxy)ethyl]sulfonyl]-
Basic information
- CAS
68399-89-3- Standard SMILES
CC(=O)Nc1ccc2c(O)c(N=Nc3ccc4cc(S(=O)(=O)CCOS(=O)(=O)O)ccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1- InChIKey
GKTYMBPDFIBFLS-UHFFFAOYSA-N- Molecular formula
- C24H21N3O14S4
- Average molar mass
- 703.7 g/mol
- Monoisotopic mass
- 702.99063705
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonic acid, 2-[2-[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-6-[[2-(sulfooxy)ethyl]sulfonyl]-
- IUPAC
- 7-acetamido-4-hydroxy-3-[[1-sulfo-6-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2-sulfonic acid
- English name
- 2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-sulphonic acid
- Molecular formula
- C24H21N3O14S4
- Molecular weight
- 703.7
Names & synonyms
EINECS 269-996-41-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-1-Naphthalenesulfonic acid, 2-((6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-6-((2-(sulfooxy)ethyl)sulfonyl)-1-Naphthalenesulfonic acid, 2-(2-(6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-6-((2-(sulfooxy)ethyl)sulfonyl)-1-Naphthalenesulfonic acid, 2-[2-[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-6-[[2-(sulfooxy)ethyl]sulfonyl]-RefChem:43482768399-89-3DTXSID3071484SCHEMBL13880641GKTYMBPDFIBFLS-UHFFFAOYSA-NNS000635992-((6-Acetamido-1-hydroxy-3-sulpho-2-naphthyl)azo)-6-((2-(sulphooxy)ethyl)sulphonyl)naphthalene-1-sulphonic acid
Show more names
2-[[6-(Acetylamino)-1-hydroxy-3-sulfo-2-naphtyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]-1-naphthalenesulfonic acid2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-sulphonic acid
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 314 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,540
Physicochemical properties
- Density
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- pka
- -3.89 · -3.89±0.18(Predicted)
- EPA Substance Registry System
- 1 · 1-Naphthalenesulfonic acid, 2-[[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-6-[[2-(sulfooxy)ethyl]sulfonyl]- (68399-89-3)
- 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 Information1-Naphthalenesulfonic acid, 2-[2-[6-(acetylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-6-[[2-(sulfooxy)ethyl]sulfonyl]-: INACTIVE
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Compound notes
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