512822-18-3
1-PIPERIDINECARBOXYLIC ACID, 4-FORMYL-3-METHYL-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERIDINECARBOXYLIC ACID, 4-FORMYL-3-METHYL-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERIDINECARBOXYLIC ACID, 4-FORMYL-3-METHYL-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD18073224
【English Synonyms】
【Formula】
C12 H21 N O3
【MolWeight】
227.302
【Inchi】
InChI=1S/C12H21NO3/c1-9-7-13(6-5-10(9)8-14)11(15)16-12(2,3)4/h8-10H,5-7H2,1-4H3
【InChIKey】
InChIKey=PLVBIBPBUCVLHC-UHFFFAOYSA-N
【SMILES】
CC1CN(CCC1C=O)C(=O)OC(C)(C)C
【MOL File】
1-PIPERIDINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERIDINECARBOXYLIC ACID, 4-FORMYL-3-METHYL-, 1,1-DIMETHYLETHYL ESTER.cml