HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 96813Generated: November 4, 2026
(2S)-2-(2,4-dinitroanilino)-3-methylpentanoic acid
Nsc89628 · DNP-Isoleucine · Dnp-L-isoleucine · N-2,4-DNP-L-ISOLEUCINE · DNP-L-ISOLEUCINE USP/EP/BP · N-(2,4-Dinitrophenyl)isoleucine · N-(2,4-dinitrophenyl)-L-isoleucine · N-2-4-dnp-L-isoleucine crystalline
https://huagongshe.com/en/chemical/96813
Identifiers & Physical Properties
| CAS No. | 1655-56-7 |
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| Molecular formula | C12H15N3O6 |
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| Average molar mass | 297.26 g/mol |
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| Monoisotopic mass | 297.09608521 g/mol |
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| SMILES | CCC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O |
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| InChIKey | PCZSORDQCDENOD-QRIDDKLISA-N |
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| PubChem CID | 96813 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 141 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 405 |
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| Boiling point | 509.7±50.0 °C(Predicted) |
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| Density | 1.412±0.06 g/cm3(Predicted) |
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| Storage conditions | −20°C |
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| pKa (acidity coefficient) | 3+-.0.22(Predicted) |
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| Water hazard class (WGK) | 3 |
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Safety & Regulations
| Water hazard class (WGK) | 3 |
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