ChemicalBook CAS DataBase List 2097617-95-1

2097617-95-1

Name	1-Piperidinecarboxylic acid, 3-bromo-4,4-dimethoxy-, 1,1-dimethylethyl ester
CAS	2097617-95-1
Molecular Formula	C12H22BrNO4
Molecular Weight	324.21
MOL File	2097617-95-1.mol

Chemical Properties

Boiling point	343.1±42.0 °C(Predicted)
density	1.32±0.1 g/cm3(Predicted)
pka	-4.95±0.60(Predicted)
InChI	InChI=1S/C12H22BrNO4/c1-11(2,3)18-10(15)14-7-6-12(16-4,17-5)9(13)8-14/h9H,6-8H2,1-5H3
InChIKey	PTZJLJPTEAZFSW-UHFFFAOYSA-N
SMILES	N1(C(OC(C)(C)C)=O)CCC(OC)(OC)C(Br)C1