689141-18-2
4-METHYL-2-(4-METHYL-1-PIPERAZINYL)-BENZOIC ACID
Name4-METHYL-2-(4-METHYL-1-PIPERAZINYL)-BENZOIC ACID
1Identification
【Name】
4-METHYL-2-(4-METHYL-1-PIPERAZINYL)-BENZOIC ACID
【CAS】
【MDL】
MFCD17114482
【English Synonyms】
【Formula】
C13 H18 N2 O2
【MolWeight】
234.297
【Inchi】
InChI=1S/C13H18N2O2/c1-10-3-4-11(13(16)17)12(9-10)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=HGKLGQRUGPSIKH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)N2CCN(CC2)C)C(=O)O
【MOL File】
4-METHYL-2-(4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-2-(4-METHYL-1-PIPERAZINYL)-BENZOIC ACID.cml