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ChemicalBook--->CAS DataBase List--->6629-04-5

6629-04-5

6629-04-5 Structure

6629-04-5 Structure
IdentificationBack Directory
[Name]

N-CYANOACETYLURETHANE
[CAS]

6629-04-5
[Synonyms]

NSC 59709
N-Cyanourethane
Cyanoacetylurethan
Ethyl (2-cyanoacetyl)
2-Cyanoacetylurethane
N-CYANOACETYLURETHANE
N-Cyanoacetylurethane 98%
Ethyl cyanacetylcarbamate
ETHYL CYANOACETYLCARBAMATE
n-cyanoacetylethylcarbamate
N-Cyanoacetyl ethyl carbamate
N-Cyanoacetylurethane, GC 99%
N-Carbethoxy-2-cyanoacetamide
Ethyl (2-cyanoacetyl)carbaMate
ETHYL N-(CYANOACETYL)CARBAMATE
ETHYL N-(2-CYANOACETYL)CARBAMATE
cyanoacetyl-carbamicaciethylester
Cyanoacetylcarbamic acid ethyl ester
(Cyanoacetyl)carbamic acid ethyl ester
N-(Cyanoacetyl)carbamic acid ethyl ester
Carbamic acid, (cyanoacetyl)-, ethyl ester
CarbaMic acid,N-(2-cyanoacetyl)-, ethyl ester
N-Cyanoacetylurethane,Ethyl cyanoacetylcarbamate
[EINECS(EC#)]

229-615-4
[Molecular Formula]

C6H8N2O3
[MDL Number]

MFCD00001937
[MOL File]

6629-04-5.mol
[Molecular Weight]

156.14
Chemical PropertiesBack Directory
[Melting point ]

167-169 °C (lit.)
[Boiling point ]

280.35°C (rough estimate)
[density ]

1.197
[refractive index ]

1.5010 (estimate)
[storage temp. ]

Sealed in dry,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)
[InChIKey]

HSOGVWWWGVFXGF-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)NC(CC#N)=O
Safety DataBack Directory
[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
Hazard InformationBack Directory
[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 sy nthesis of cathespin K inhibitors.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

N-CYANOACETYLURETHANE(6629-04-5)1HNMR
N-CYANOACETYLURETHANE(6629-04-5)FT-IR
N-CYANOACETYLURETHANE(6629-04-5)Raman
N-CYANOACETYLURETHANE(6629-04-5)IR
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