13118-11-1
N-METHYL-3-PYRROLIDINYL CYCLOPENTYLMANDELATE
NameN-METHYL-3-PYRROLIDINYL CYCLOPENTYLMANDELATE
1Identification
【Name】
N-METHYL-3-PYRROLIDINYL CYCLOPENTYLMANDELATE
【CAS】
【MDL】
MFCD12911798
【English Synonyms】
【Formula】
C18 H25 N O3
【MolWeight】
303.4
【Inchi】
InChI=1S/C18H25NO3/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
【InChIKey】
InChIKey=OVGMKPGXRHJNKJ-UHFFFAOYSA-N
【SMILES】
CN1CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O
【MOL File】
N-METHYL-3-PYRROLIDI….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
N-METHYL-3-PYRROLIDINYL CYCLOPENTYLMANDELATE.cml