1877-23-2
ALPHA,4-DIMETHYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
NameALPHA,4-DIMETHYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
pro_formulaC16 H24 N2 O2 . Cl H
1Identification
【Name】
ALPHA,4-DIMETHYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE
【CAS】
【MDL】
MFCD01704172
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H24 N2 O2 . Cl H
【pro_molWeight】
312.839
【Inchi】
InChI=1S/C16H24N2O2.ClH/c1-12-6-5-7-13(2)15(12)20-16(19)14(3)18-10-8-17(4)9-11-18;/h5-7,14H,8-11H2,1-4H3;1H
【InChIKey】
InChIKey=JMJQTSPYVMBZTE-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1OC(=O)C(C)N2CCN(CC2)C)C.Cl
【MOL File】
ALPHA,4-DIMETHYL-1-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ALPHA,4-DIMETHYL-1-PIPERAZINEACETIC ACID 2,6-XYLYL ESTER HYDROCHLORIDE.cml