Basic information
- CAS
62669-67-4- Standard SMILES
C=CS(=O)(=O)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
NHVANJGFAFQZEE-UHFFFAOYSA-N- Molecular formula
- C22H16N2O7S2
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.0398932
Overview
vinyl sulfone group reacts with free amino groups in proteins; structure
Names & identifiers
- Preferred name
- 1-Amino-4-((4-(ethenylsulfonyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
- IUPAC
- 1-amino-4-(4-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-Amino-4-[[4-(ethenylsulfonyl)phenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
- Molecular formula
- C22H16N2O7S2
- Molecular weight
- 484.5
Names & synonyms
62669-67-4HM59RJ1JY9NSC-293058Remazol brilliant blue R vinyl sulfoneDTXSID10696172-Anthracenesulfonic acid, 1-amino-4-[[4-(ethenylsulfonyl)phenyl]amino]-9,10-dihydro-9,10-dioxo-2-Anthracenesulfonic acid, 1-amino-4-((4-(ethenylsulfonyl)phenyl)amino)-9,10-dihydro-9,10-dioxo-1-AMINO-4-((4-(ETHENYLSULFONYL)PHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXO-2-ANTHRACENESULFONIC ACID1-Amino-4-[[4-(ethenylsulfonyl)phenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acidRefChem:429322DTXCID0043470NSC293058
Show more names
1-Amino-4-(4-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonicacid
NSC 293058UNII-HM59RJ1JY9SCHEMBL8656578NHVANJGFAFQZEE-UHFFFAOYSA-NDB-3456721-amino-9,10-dioxo-4-(4-vinylsulfonylanilino)anthracene-2-sulfonic acid1-Amino-4-[4-(ethenesulfonyl)anilino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid1-Amino-9,10-dioxo-4-{[4-(vinylsulfonyl)phenyl]amino}-9,10-dihydroanthracene-2-sulfonic acid
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Density
- 1.596 · 1.596±0.06 g/cm3(Predicted)
- pka
- -1.18 · -1.18±0.20(Predicted)
- FDA UNII
- 59 RJ1JY9 · HM59RJ1JY9
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[4-(ethenylsulfonyl)phenyl]amino]-9,10-dihydro-9,10-dioxo- (62669-67-4)
- 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 Information2-Anthracenesulfonic acid, 1-amino-4-[[4-(ethenylsulfonyl)phenyl]amino]-9,10-dihydro-9,10-dioxo-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…