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872826-80-7

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872826-80-7 Structure

872826-80-7 Structure
IdentificationBack Directory
[Name]

Buspirone impurity 3
[CAS]

872826-80-7
[Synonyms]

Buspirone impurity 3
Buspirone Impurity 19
Pyrimidine, 2-(4-nitroso-1-piperazinyl)-
[Molecular Formula]

C8H11N5O
[MOL File]

872826-80-7.mol
[Molecular Weight]

193.21
Chemical PropertiesBack Directory
[Melting point ]

119-120 °C
[Boiling point ]

437.8±55.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[storage temp. ]

-10 to -25°C
[pka]

4.87±0.33(Predicted)
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C8H11N5O/c14-11-13-6-4-12(5-7-13)8-9-2-1-3-10-8/h1-3H,4-7H2
[InChIKey]

NWSVVDNGQXGGIC-UHFFFAOYSA-N
[SMILES]

N1(CCN(CC1)c2ncccn2)N=O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

pharmaceutical small molecule
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