86620-70-4
4-(PIPERAZIN-1-YLMETHYL)BENZOIC ACID DIHYDROCHLORIDE
Name4-(PIPERAZIN-1-YLMETHYL)BENZOIC ACID DIHYDROCHLORIDE
pro_formulaC12 H16 N2 O2 . 2 Cl H
1Identification
【Name】
4-(PIPERAZIN-1-YLMETHYL)BENZOIC ACID DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09753579
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H16 N2 O2 . 2 Cl H
【pro_molWeight】
293.192
【Inchi】
InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-1-10(2-4-11)9-14-7-5-13-6-8-14;;/h1-4,13H,5-9H2,(H,15,16);2*1H
【InChIKey】
InChIKey=FTYMSLWMAMSCLG-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CN2CCNCC2)C(=O)O.Cl.Cl
【MOL File】
4-(PIPERAZIN-1-YLMET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(PIPERAZIN-1-YLMETHYL)BENZOIC ACID DIHYDROCHLORIDE.cml