54593-27-0
3,6-BIS[2-(DIMETHYLAMINO)ETHOXY]-9H-XANTHEN-9-ONE DIHYDROCHLORIDE
Name3,6-BIS[2-(DIMETHYLAMINO)ETHOXY]-9H-XANTHEN-9-ONE DIHYDROCHLORIDE
pro_formulaC21 H26 N2 O4 . 2 Cl H
1Identification
【Name】
3,6-BIS[2-(DIMETHYLAMINO)ETHOXY]-9H-XANTHEN-9-ONE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD00058106
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H26 N2 O4 . 2 Cl H
【pro_molWeight】
443.368
【Inchi】
InChI=1S/C21H26N2O4.2ClH/c1-22(2)9-11-25-15-5-7-17-19(13-15)27-20-14-16(26-12-10-23(3)4)6-8-18(20)21(17)24;;/h5-8,13-14H,9-12H2,1-4H3;2*1H
【InChIKey】
InChIKey=YGPTVYNBVYFRLU-UHFFFAOYSA-N
【SMILES】
CN(C)CCOc1ccc2c(c1)oc3cc(ccc3c2=O)OCCN(C)C.Cl.Cl
【MOL File】
3,6-BIS[2-(DIMETHYLA….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3,6-BIS[2-(DIMETHYLAMINO)ETHOXY]-9H-XANTHEN-9-ONE DIHYDROCHLORIDE.cml