1877-47-0
4-METHYL-ALPHA-PHENYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
Name4-METHYL-ALPHA-PHENYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
FormulaC21 H26 N2 O2 . Cl H
1Identification
【Name】
4-METHYL-ALPHA-PHENYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
【CAS】
【MDL】
MFCD01748379
【English Synonyms】
【Formula】
C21 H26 N2 O2 . Cl H
【MolWeight】
374.909
【Inchi】
InChI=1S/C21H26N2O2.ClH/c1-16-8-7-9-17(2)20(16)25-21(24)19(18-10-5-4-6-11-18)23-14-12-22(3)13-15-23;/h4-11,19H,12-15H2,1-3H3;1H
【InChIKey】
InChIKey=TXVYKEAZTYSXDX-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1OC(=O)C(c2ccccc2)N3CCN(CC3)C)C.Cl
【MOL File】
4-METHYL-ALPHA-PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-ALPHA-PHENYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE.cml