1-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid
Basic information
- CAS
18013-23-5- Standard SMILES
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Nc3cc(S(=O)(=O)O)c(N)c4c3C(=O)c3ccccc3C4=O)cc2)cc1- InChIKey
BUXGNIRDPOLYKO-UHFFFAOYSA-N- Molecular formula
- C29H25N3O7S2
- Average molar mass
- 591.7 g/mol
- Monoisotopic mass
- 591.11339249
Names & identifiers
- Preferred name
- 1-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 1-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid
- Molecular formula
- C29H25N3O7S2
- Molecular weight
- 591.6547
Names & synonyms
18013-23-5EINECS 241-918-31-Amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulphonyl)amino)methyl)phenyl)amino)-9,10-dioxoanthracene-2-sulphonic acidDTXSID401709182-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-((methyl((4-methylphenyl)sulfonyl)amino)methyl)phenyl)amino)-9,10-dioxo-1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonic acid2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-RefChem:429377DTXCID2093409241-918-31-amino-4-[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoa
Show more names
1-Amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,180
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…