HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166323Generated: October 27, 2026
1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1)
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Identifiers & Physical Properties
| CAS No. | 72828-93-4 |
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| Molecular formula | C28H33N3O6S |
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| Average molar mass | 539.6 g/mol |
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| Monoisotopic mass | 539.20900695 g/mol |
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| SMILES | COS(=O)(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 |
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| InChIKey | BFJXZOJYPWMIAI-UHFFFAOYSA-N |
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| PubChem CID | 166323 |
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| EC No. | 276-896-4 |
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| DTXSID | DTXSID50887803 |
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Chemical & Physical Properties
| Topological polar surface area | 133 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 755 |
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![1-Propanaminium, 3-[[9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-1-anthracenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1) molecular structure](/img/chemical/166323.png)