Introduction：Basic information about CAS 17613-25-1|3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanenitrile |
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| CAS Number | 17613-25-1 | Molecular Weight | 200.23600 |
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| Density | 1.188g/cm3 | Boiling Point | 421.7ºC at 760 mmHg |
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| Molecular Formula | C12H12N2O | Melting Point | / |
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| MSDS | / | Flash Point | 208.8ºC |
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Names
| Name | 3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.188g/cm3 |
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| Boiling Point | 421.7ºC at 760 mmHg |
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| Molecular Formula | C12H12N2O |
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| Molecular Weight | 200.23600 |
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| Flash Point | 208.8ºC |
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| Exact Mass | 200.09500 |
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| PSA | 44.10000 |
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| LogP | 1.42288 |
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| Vapour Pressure | 2.56E-07mmHg at 25°C |
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| Index of Refraction | 1.575 |
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| InChIKey | WLRMVYFXUPKXBY-UHFFFAOYSA-N |
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| SMILES | N#CCC(=O)N1CCc2ccccc2C1 |
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Synonyms
| 2-Cyanacetyl-1,2,3,4-tetrahydroisochinolin |
| 2-Cyanoacetyl-1,2,3,4-tetrahydroisochinolin |
| 3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propionitrile |
| 2-cyanoacetyl-1,2,3,4-tetrahydro-isoquinoline |
| 3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropanenitrile |
