HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5240297Generated: November 2, 2026
4-(4-Methylpiperazin-4-ium-1-yl)-4-oxobutanoate
AKOS BB/0082 · AKOS BB-3960 · BUTTPARK 80\07-72 · TIMTEC-BB SBB005752 · SUCCINIC ACID, 4-METHYLPIPERAZIDE · 4-(4-Methyl-piperazin-1-yl)-4-oxo- · 1-Piperazinebutanoic acid, 4-methyl-γ-oxo- · 4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
https://huagongshe.com/en/chemical/5240297
Identifiers & Physical Properties
| CAS No. | 72547-44-5 |
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| Molecular formula | C9H16N2O3 |
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| Average molar mass | 200.23 g/mol |
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| Monoisotopic mass | 200.11609238 g/mol |
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| SMILES | C[NH+]1CCN(C(=O)CCC(=O)[O-])CC1 |
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| InChIKey | NZTQZEIZMMJXFG-UHFFFAOYSA-N |
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| PubChem CID | 5240297 |
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Chemical & Physical Properties
| XLogP | -2.7 |
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| Topological polar surface area | 64.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 217 |
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| Melting point | 95-96 °C |
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| Boiling point | 393.0±37.0 °C(Predicted) |
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| Density | 1.195±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.86±0.17(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 |
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