N-Cyanoacetylurethane , 95% , 6629-04-5

Synonym(s):
Ethyl cyanoacetylcarbamate

CAS NO.：6629-04-5

Empirical Formula: C6H8N2O3

Molecular Weight: 156.14

MDL number: MFCD00001937

EINECS: 229-615-4

PRODUCT 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

Description and 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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• 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