ChemicalBook--->CAS DataBase List--->2064219-15-2

2064219-15-2

2064219-15-2 Structure

2064219-15-2 Structure
IdentificationBack Directory
[Name]

Avibactam Impurity 29
[CAS]

2064219-15-2
[Synonyms]

(1R,2R,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, 7-oxo-6-(phenylmethoxy)-, (1R,2R,5R)-
[Molecular Formula]

C14H17N3O3
[MOL File]

2064219-15-2.mol
[Molecular Weight]

275.3
Chemical PropertiesBack Directory
[Boiling point ]

543.6±30.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[pka]

17.19±0.20(Predicted)
[InChI]

InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12-/m1/s1
[InChIKey]

HYTSWLKLRKLRHK-VXGBXAGGSA-N
[SMILES]

[N@]12C[C@]([H])(N(OCC3=CC=CC=C3)C1=O)CC[C@@H]2C(N)=O
Hazard InformationBack Directory
[Uses]

(1R,2R,5R)-7-Oxo-6-(phenylmethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide is a reagent used for research purposes in the synthesis of Avibactam optical isomers and its intermediates.
Spectrum DetailBack Directory
[Spectrum Detail]

Avibactam Impurity 29(2064219-15-2)1HNMR
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