N-(4-Oxocyclohexyl)acetamide Chemical Properties

Melting point:

137 °C

Boiling point:

359.1±31.0 °C(Predicted)

Density 

1.07±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

pka

15.76±0.20(Predicted)

form 

Solid

color 

Off-white

InChI

InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)

InChIKey

WZEMYWNHKFIVKE-UHFFFAOYSA-N

SMILES

C(NC1CCC(=O)CC1)(=O)C

CAS DataBase Reference

27514-08-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39-37/39

WGK Germany 

3

HS Code 

29242990

N-(4-Oxocyclohexyl)acetamide Usage And Synthesis

Chemical Properties

White solid

Uses

N-(4-Oxocyclohexyl)acetamide is a metabolite of (trans-N-(4-nitroxycyclohexyl)acetamide (CAS 137213-91-3). N-(4-Oxocyclohexyl)acetamide has been used as a reactant in the preparation of 2-Pyrimidinecarbonitrile derivatives as falcipain inhibitors and antiparasitic agents.

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