553631-68-8
3-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
Name3-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
FormulaC13 H16 N2 O . Cl H
1Identification
【Name】
3-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE
【CAS】
【MDL】
MFCD12407032
【English Synonyms】
【Formula】
C13 H16 N2 O . Cl H
【MolWeight】
252.743
【Inchi】
InChI=1S/C13H16N2O.ClH/c14-9-12-2-1-3-13(8-12)16-10-11-4-6-15-7-5-11;/h1-3,8,11,15H,4-7,10H2;1H
【InChIKey】
InChIKey=SWJXYHZNTNRRKC-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)OCC2CCNCC2)C#N.Cl
【MOL File】
3-(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
3-(PIPERIDIN-4-YLMETHOXY)BENZONITRILE HYDROCHLORIDE.cml