cycloheptanecarboxamide
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cycloheptanecarboxamide
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CAS No:
1459-39-8
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Formula:
C8H15NO
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Chemical Name:
cycloheptanecarboxamide
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Synonyms:
Cycloheptanecarboxamide;Cycloheptylcarboxamide;SCHEMBL215922;CTK0I4330;DTXSID50163174;ZINC5133718;AKOS011881793;AK173577;TS-01843
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CAS No:
Characteristics
43.1
1.8
0.990±0.06 g/cm3(Predicted)
193-194 °C(Solv: ethanol (64-17-5))
295.2±7.0 °C(Predicted)
cycloheptanecarboxamide Use and Manufacturing
To a nitromethane (1 mL) solution of cycloheptanecarbonitrile (4m) (1.00 g, 8.12 mmol) were addedH2O (1 mL), DBU (2.47 g, 16.2 mmol), copper (I) iodide (309 mg, 1.62 mmol), cesium (I) carbonate(1.32 g, 4.06 mmol) at room temperature. The reaction mixture was heated at 90 °C for 8 h and thenpoured into water (50 mL). The organic layer was separated and the aqueous layer was extractedwith CHCl3. The combined organic layer was dried over MgSO4. The solvent was removed underreduced pressure. The formed brown powders were washed with n-hexane to give the titledcompound (499 mg, 44percent).mp 192-194 °C,
Computed Properties
Molecular Weight:141.21
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:141.115364102
Monoisotopic Mass:141.115364102
Topological Polar Surface Area:43.1
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes