885274-08-8
2-(4-BOC-PIPERAZINYL)-2-(3-METHYL-PHENYL)ACETIC ACID
Name2-(4-BOC-PIPERAZINYL)-2-(3-METHYL-PHENYL)ACETIC ACID
1Identification
【Name】
2-(4-BOC-PIPERAZINYL)-2-(3-METHYL-PHENYL)ACETIC ACID
【CAS】
【MDL】
MFCD06659341
【English Synonyms】
【Formula】
C18 H26 N2 O4
【MolWeight】
334.413
【Inchi】
InChI=1S/C18H26N2O4/c1-13-6-5-7-14(12-13)15(16(21)22)19-8-10-20(11-9-19)17(23)24-18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,21,22)
【InChIKey】
InChIKey=BNJJGALLZCKLBR-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)C(C(=O)O)N2CCN(CC2)C(=O)OC(C)(C)C
【MOL File】
2-(4-BOC-PIPERAZINYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-BOC-PIPERAZINYL)-2-(3-METHYL-PHENYL)ACETIC ACID.cml