Introduction：Basic information about CAS 864825-84-3|2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethyle, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)- |
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| CAS Number | 864825-84-3 | Molecular Weight | 348.394 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 454.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H24N2O5 | Melting Point | / |
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| MSDS | / | Flash Point | 228.7±28.7 °C |
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Names
| Name | (Z)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)acrylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 454.5±45.0 °C at 760 mmHg |
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| Molecular Formula | C18H24N2O5 |
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| Molecular Weight | 348.394 |
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| Flash Point | 228.7±28.7 °C |
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| Exact Mass | 348.168518 |
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| PSA | 107.72000 |
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| LogP | 3.32 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.558 |
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| InChIKey | JTRKHURHLHATAD-ZROIWOOFSA-N |
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| SMILES | COC(=O)C(=Cc1c(C)cc(C(N)=O)cc1C)NC(=O)OC(C)(C)C |
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Synonyms
| 2-Propenoic acid,3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)- |
| Eluxadoline intermediate |
| (Z)-methyl 3-(4-carbamoyl-2,6-dimethylphenyl)-2-(Boc-amino)acrylate |
| Methyl (2Z)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acrylate |
| 2-Propenoic acid, 3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2Z)- |
