553631-67-7
4-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
Name4-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
FormulaC13 H16 N2 O . Cl H
1Identification
【Name】
4-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
【CAS】
【MDL】
MFCD12407031
【English Synonyms】
【Formula】
C13 H16 N2 O . Cl H
【MolWeight】
252.743
【Inchi】
InChI=1S/C13H16N2O.ClH/c14-9-11-1-3-13(4-2-11)16-10-12-5-7-15-8-6-12;/h1-4,12,15H,5-8,10H2;1H
【InChIKey】
InChIKey=BAGQCMWYCDGYQK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C#N)OCC2CCNCC2.Cl
【MOL File】
4-(PIPERIDIN-4-YLMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE.cml