HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2Generated: November 4, 2026
2-(Acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
https://huagongshe.com/en/chemical/2
Identifiers & Physical Properties
| CAS No. | 7559-18-4 |
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| Molecular formula | C9H18NO4+ |
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| Average molar mass | 204.24 g/mol |
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| Monoisotopic mass | 204.12358306 g/mol |
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| SMILES | CC(=O)OC(CC(=O)O)C[N+](C)(C)C |
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| InChIKey | RDHQFKQIGNGIED-UHFFFAOYSA-O |
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| PubChem CID | 2 |
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| ChEMBL | CHEMBL1625375 |
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| DTXSID | DTXSID40859554 |
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Chemical & Physical Properties
| XLogP | -0.3 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 14 |
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| Formal charge | 1 |
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| Complexity | 219 |
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| Dissociation Constants | 3.6 |
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| Collision Cross Section | 143.5 Ų [M+H]+ |
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