HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 60607Generated: November 4, 2026
Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monohydrobromide
https://huagongshe.com/en/chemical/60607
Identifiers & Physical Properties
| CAS No. | 113694-81-8 |
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| Molecular formula | C10H13BrN2O3 |
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| Average molar mass | 289.13 g/mol |
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| Monoisotopic mass | 288.01095 g/mol |
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| SMILES | O=C(O)CCCNC(=O)c1ccc[nH+]c1.[Br-] |
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| InChIKey | PCZFLSUKNWGGEC-UHFFFAOYSA-N |
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| PubChem CID | 60607 |
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Chemical & Physical Properties
| Topological polar surface area | 80.5 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 231 |
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