13118-10-0
1-METHYL-3-(A-CYCLOPENTYLMANDELOYLOXY)PYRROLIDINEHYDROCHLORIDE
Name1-METHYL-3-(A-CYCLOPENTYLMANDELOYLOXY)PYRROLIDINEHYDROCHLORIDE
FormulaC18 H25 N O3 . Cl H
1Identification
【Name】
1-METHYL-3-(A-CYCLOPENTYLMANDELOYLOXY)PYRROLIDINEHYDROCHLORIDE
【CAS】
【MDL】
MFCD01715893
【English Synonyms】
【Formula】
C18 H25 N O3 . Cl H
【MolWeight】
339.86
【Inchi】
InChI=1S/C18H25NO3.ClH/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14;/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3;1H
【InChIKey】
InChIKey=IUFZTNHOGFUUBG-UHFFFAOYSA-N
【SMILES】
CN1CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O.Cl
【MOL File】
1-METHYL-3-(A-CYCLOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-3-(A-CYCLOPENTYLMANDELOYLOXY)PYRROLIDINEHYDROCHLORIDE.cml