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1593969-81-3

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1593969-81-3 Structure

1593969-81-3 Structure
IdentificationBack Directory
[Name]

N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester
[CAS]

1593969-81-3
[Synonyms]

tert-Butyl ((3S,5S)-5-fluoropiperidin-3-yl)carbamate
tert-butyl N-[(3S,5S)-5-fluoropiperidin-3-yl]carbamate
N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester
(3S,5S)-(5-Fluoro-piperidin-3-yl)-carbamic acid tert-butyl ester
Carbamic acid, N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C10H19FN2O2
[MDL Number]

MFCD24849798
[MOL File]

1593969-81-3.mol
[Molecular Weight]

218.27
Chemical PropertiesBack Directory
[Boiling point ]

313.3±42.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

11.68±0.40(Predicted)
[InChI]

InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
[InChIKey]

ACHGEWOGBWGEEL-YUMQZZPRSA-N
[SMILES]

C(OC(C)(C)C)(=O)N[C@H]1C[C@H](F)CNC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

tert-Butyl N-[(3S,5S)-5-fluoropiperidin-3-yl]carbamate is used in the preparation of bisheterocyclic inhibitors of PAD4
Spectrum DetailBack Directory
[Spectrum Detail]

N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester(1593969-81-3)1HNMR
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