894793-28-3
2-(1-BOC-PIPERIDIN-4-YLMETHYLENE)MALONIC ACID DIETHYL ESTER
Name2-(1-BOC-PIPERIDIN-4-YLMETHYLENE)MALONIC ACID DIETHYL ESTER
1Identification
【Name】
2-(1-BOC-PIPERIDIN-4-YLMETHYLENE)MALONIC ACID DIETHYL ESTER
【CAS】
【MDL】
MFCD09832985
【English Synonyms】
【Formula】
C18 H29 N O6
【MolWeight】
355.428
【Inchi】
InChI=1S/C18H29NO6/c1-6-23-15(20)14(16(21)24-7-2)12-13-8-10-19(11-9-13)17(22)25-18(3,4)5/h12-13H,6-11H2,1-5H3
【InChIKey】
InChIKey=UBNOSROCRSWSQU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC
【MOL File】
2-(1-BOC-PIPERIDIN-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1-BOC-PIPERIDIN-4-YLMETHYLENE)MALONIC ACID DIETHYL ESTER.cml