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26458-78-6

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26458-78-6 Structure

26458-78-6 Structure
IdentificationBack Directory
[Name]

4-CYANOQUINUCLIDINE
[CAS]

26458-78-6
[Synonyms]

BUTTPARK 31\04-90
4-CYANOQUINUCLIDINE
4-Quinuclidinecarbonitrile
quinuclidine-4-carbonitrile
1-Azabicyclo[2.2.2]octane-4-carbonitrile
1-Azabicyclo[2.2.2]octane-4-carbonitrile 97%
1-Azabicyclo[2.2.2]octane-4-carbonitrile 95+%
4-Cyanonquinuclidine, 4-Cyano-1-azabicyclo[2.2.2]octane
[Molecular Formula]

C8H12N2
[MDL Number]

MFCD00276610
[MOL File]

26458-78-6.mol
[Molecular Weight]

136.19
Chemical PropertiesBack Directory
[Melting point ]

129-130°C
[Boiling point ]

239℃
[density ]

1.09
[Fp ]

97℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

8.02±0.12(Predicted)
[color ]

Light Orange
[InChI]

InChI=1S/C8H12N2/c9-7-8-1-4-10(5-2-8)6-3-8/h1-6H2
[InChIKey]

CEMKLAOKVLRABO-UHFFFAOYSA-N
[SMILES]

N12CCC(C#N)(CC1)CC2
Safety DataBack Directory
[Hazard Codes ]

Xi
[RIDADR ]

UN3439
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

4-Cyanoquinuclidine is an intermediate used to prepare pleuromutilin (P610500) derivatives as antimicrobials.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANOQUINUCLIDINE(26458-78-6)1HNMR
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