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| | N-CYANOACETYLURETHANE Basic information |
| Product Name: | N-CYANOACETYLURETHANE | | Synonyms: | N-Cyanoacetylurethane 98%;Ethyl (2-cyanoacetyl);2-Cyanoacetylurethane;Carbamic acid, (cyanoacetyl)-, ethyl ester;cyanoacetyl-carbamicaciethylester;Cyanoacetylurethan;Ethyl cyanacetylcarbamate;N-Cyanoacetyl ethyl carbamate | | CAS: | 6629-04-5 | | MF: | C6H8N2O3 | | MW: | 156.14 | | EINECS: | 229-615-4 | | Product Categories: | intermediate;1 | | Mol File: | 6629-04-5.mol |  |
| | N-CYANOACETYLURETHANE Chemical Properties |
| Melting point | 167-169 °C (lit.) | | Boiling point | 280.35°C (rough estimate) | | density | 1.197 | | refractive index | 1.5010 (estimate) | | storage temp. | 2-8°C | | solubility | DMSO, Methanol | | pka | 3.46±0.10(Predicted) | | form | Solid | | color | Pale Yellow | | InChI | InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10) | | InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N | | SMILES | C(OCC)(=O)NC(CC#N)=O |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | EZ3480000 | | HazardClass | IRRITANT | | HS Code | 2926907090 |
| | N-CYANOACETYLURETHANE Usage And Synthesis |
| Chemical Properties | Pale Yellow Solid | | Uses | N-Cyanoacetylurethane is used in the synthesis of inhibitors targetting the PDZ domain of PICK1, which is a potential target for brain ischemia, pain and addiction illnesses. Also it is used in the synthesis of cathespin K inhibitors. |
| | N-CYANOACETYLURETHANE Preparation Products And Raw materials |
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