N-CYANOACETYLURETHANE
Synonym(s):Ethyl cyanoacetylcarbamate
- CAS NO.：6629-04-5
- Empirical Formula: C6H8N2O3
- Molecular Weight: 156.14
- MDL number: MFCD00001937
- EINECS: 229-615-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-08 20:21:46
What is N-CYANOACETYLURETHANE?
Chemical properties
Pale Yellow Solid
The Uses of N-CYANOACETYLURETHANE
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 sy nthesis of cathespin K inhibitors.
The Uses of N-CYANOACETYLURETHANE
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.
Properties of N-CYANOACETYLURETHANE
| 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 |
| form | Solid |
| pka | 3.46±0.10(Predicted) |
| 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) |
Safety information for N-CYANOACETYLURETHANE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for N-CYANOACETYLURETHANE
| InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)NC(CC#N)=O |
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product: N-Cyanoacetyl Urethane 6629-04-5
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