59401-32-0
THREO-ALPHA-(4-BIPHENYLYL)-BETA-METHYL-1-PIPERIDINEPROPANOL HYDROCHLORIDE
NameTHREO-ALPHA-(4-BIPHENYLYL)-BETA-METHYL-1-PIPERIDINEPROPANOL HYDROCHLORIDE
FormulaC21 H27 N O . Cl H
1Identification
【Name】
THREO-ALPHA-(4-BIPHENYLYL)-BETA-METHYL-1-PIPERIDINEPROPANOL HYDROCHLORIDE
【CAS】
【MDL】
MFCD01700271
【English Synonyms】
【Formula】
C21 H27 N O . Cl H
【MolWeight】
345.911
【Inchi】
InChI=1S/C21H27NO.ClH/c1-17(16-22-14-6-3-7-15-22)21(23)20-12-10-19(11-13-20)18-8-4-2-5-9-18;/h2,4-5,8-13,17,21,23H,3,6-7,14-16H2,1H3;1H/t17-,21-;/m0./s1
【InChIKey】
InChIKey=HNSIPVOOVSKSPV-PVMVIUQGSA-N
【SMILES】
C[C@@H](CN1CCCCC1)[C@@H](c2ccc(cc2)c3ccccc3)O.Cl
【MOL File】
THREO-ALPHA-(4-BIPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
THREO-ALPHA-(4-BIPHENYLYL)-BETA-METHYL-1-PIPERIDINEPROPANOL HYDROCHLORIDE.cml