Basic information
- CAS
72208-24-3- Standard SMILES
COS(=O)(=O)[O-].C[N+](C)(C)CCCNc1cc(Br)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
BCNZBZUJWPWUFE-UHFFFAOYSA-N- Molecular formula
- C20H23BrN3O2.CH3O4S
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 527.07257
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- 3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium;methyl sulfate
Names & synonyms
72208-24-3EINECS 276-473-4(3-((4-Amino-3-bromo-1-anthraquinonyl)amino)propyl)trimethylammonium methyl sulfateDTXSID708881101-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate1-Propanaminium, 3-((4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, methyl sulfate (1:1)1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate (1:1)RefChem:77072DTXCID8010273923-[(4-amino-3-bromo-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-n,n,n-trimethylpropan-1-aminium methyl sulfateNS00061346
Show more names
3-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)propyltrimethylammonium methyl sulphate
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-N,N,N-trimethyl-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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