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780705-64-8

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780705-64-8 Structure

780705-64-8 Structure
IdentificationBack Directory
[Name]

1-N-Boc-4-pyriMidin-2-yl-piperazine
[CAS]

780705-64-8
[Synonyms]

Tandospirone Impurity 13
1-N-Boc-4-pyriMidin-2-yl-piperazine
tert-Butyl4-(pyrimidin-2-yl)piperazine-1-carboxylate
[Molecular Formula]

C13H20N4O2
[MDL Number]

MFCD12068359
[MOL File]

780705-64-8.mol
[Molecular Weight]

264.32
Chemical PropertiesBack Directory
[Boiling point ]

405.8±55.0 °C(Predicted)
[density ]

1.167±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C, protect from light
[pka]

4.87±0.33(Predicted)
[Appearance]

Light yellow to light brown Solid
[InChI]

InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
[InChIKey]

YEEDHQBGXCVRDP-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCN(C2=NC=CC=N2)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard InformationBack Directory
[Uses]

tert-Butyl 4-(2-Pyrimidinyl)-1-piperazinecarboxylate-D8 is an intermediate used in the synthesis of 2-(1-Piperazinyl)pyrimidine-d8 (P481302), which is a labelled 2-(1-Piperazinyl)pyrimidine, the major metabolite of Tandospirone (T006430).
Spectrum DetailBack Directory
[Spectrum Detail]

1-N-Boc-4-pyriMidin-2-yl-piperazine(780705-64-8)1HNMR
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