Basic information
- CAS
67893-47-4- Standard SMILES
CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)O)c2c1C(=O)c1ccccc1C2=O- InChIKey
XPKVNPZDTLYFGX-UHFFFAOYSA-N- Molecular formula
- C22H18N2O5S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.09364285
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-
- IUPAC
- 5-methyl-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
- English name
- 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]toluene-3-sulphonic acid
- Molecular formula
- C22H18N2O5S
- Molecular weight
- 422.45
Names & synonyms
EINECS 267-621-9Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-DTXSID4070790m-Toluenesulfonic acid, 6-((4-(methylamino)-1-anthraquinonyl)amino)-Benzenesulfonic acid, 2-((9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl)amino)-5-methyl-RefChem:564132DTXCID904521767893-47-4SCHEMBL9172504XPKVNPZDTLYFGX-UHFFFAOYSA-N5-METHYL-2-{[4-(METHYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL]AMINO}BENZENE-1-SULFONIC ACIDNS00036261
Show more names
2-[[4-(Methylamino)-1-anthraquinonyl]amino]-5-methylbenzenesulfonic acid4-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]toluene-3-sulphonic acid
4-((9,10-Dihydro-4-(methylamino)-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonic acid
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl- (67893-47-4)
- 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 InformationBenzenesulfonic acid, 2-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]-5-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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