934020-51-6
3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZOIC ACID HYDROCHLORIDE
Name3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZOIC ACID HYDROCHLORIDE
FormulaC13 H18 N2 O2 . Cl H
1Identification
【Name】
3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZOIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD08461071
【English Synonyms】
【Formula】
C13 H18 N2 O2 . Cl H
【MolWeight】
270.758
【Inchi】
InChI=1S/C13H18N2O2.ClH/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17;/h2-4,9H,5-8,10H2,1H3,(H,16,17);1H
【InChIKey】
InChIKey=NBLOIZNQHFOAHH-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)Cc2cccc(c2)C(=O)O.Cl
【MOL File】
3-(4-METHYL-PIPERAZI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZOIC ACID HYDROCHLORIDE.cml