889139-52-0
SPIRO[ISOQUINOLINE-4(4H),4'-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
NameSPIRO[ISOQUINOLINE-4(4H),4'-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
FormulaC18 H26 N2 O2 . Cl H
1Identification
【Name】
SPIRO[ISOQUINOLINE-4(4H),4'-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD11519417
【English Synonyms】
【Formula】
C18 H26 N2 O2 . Cl H
【MolWeight】
338.876
【Inchi】
InChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18;/h4-7,19H,8-13H2,1-3H3;1H
【InChIKey】
InChIKey=VZPJVDIMBQBNBX-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1Cc2ccccc2C3(C1)CCNCC3.Cl
【MOL File】
SPIRO[ISOQUINOLINE-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
SPIRO[ISOQUINOLINE-4(4H),4'-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE.cml