1334491-82-5

Name 3-(4-Carboxy-isoxazol-3-yl)-piperidine-1-carboxylic acid tert-butyl ester
CAS 1334491-82-5
Molecular Formula C14H20N2O5
MDL Number MFCD20232457
Molecular Weight 296.32
MOL File 1334491-82-5.mol

Chemical Properties

Boiling point  444.9±45.0 °C(Predicted)
density  1.248±0.06 g/cm3(Predicted)
form  solid
pka 3.12±0.36(Predicted)
InChI 1S/C14H20N2O5/c1-14(2,3)21-13(19)16-6-4-5-9(7-16)11-10(12(17)18)8-20-15-11/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey XRMMKKJZGRQYTF-UHFFFAOYSA-N
SMILES O=C(O)C1=CON=C1C2CN(C(OC(C)(C)C)=O)CCC2

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1

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