Basic information
- CAS
72828-93-4- Standard SMILES
COS(=O)(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
BFJXZOJYPWMIAI-UHFFFAOYSA-N- Molecular formula
- C28H33N3O6S
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.20900695
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- methyl sulfate;trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Names & synonyms
72828-93-4DTXSID50887803EINECS 276-896-41-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate1-((4-Methylphenyl)amino)-4-((3-(trimethylammonium)propyl)amono)anthraquinone methyl sulfate1-Propanaminium, 3-((9,10-dihydro-4-((4-methylphenyl)amino)-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1)1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfateRefChem:77073DTXCID901027088NS001203703-((9,10-Dihydro-9,10-dioxo-4-((p-tolyl)amino)-1-anthryl)aminopropyl)trimethylammonium methyl sulphate
Show more names
N,N,N-Trimethyl-3-{[4-(4-methylanilino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}propan-1-aminium methyl sulfate
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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