168206-23-3
4-(2-CARBOXY-PHENYL)-7-DIETHYLAMINO-2-(4-DIMETHYLAMINO-PHENYL)CHROMYLIUMPERCHLORATE
Name4-(2-CARBOXY-PHENYL)-7-DIETHYLAMINO-2-(4-DIMETHYLAMINO-PHENYL)CHROMYLIUMPERCHLORATE
FormulaC28 H29 N2 O3 . Cl O4
1Identification
【Name】
4-(2-CARBOXY-PHENYL)-7-DIETHYLAMINO-2-(4-DIMETHYLAMINO-PHENYL)CHROMYLIUMPERCHLORATE
【CAS】
【MDL】
MFCD00799312
【English Synonyms】
【Formula】
C28 H29 N2 O3 . Cl O4
【MolWeight】
540.997
【Inchi】
InChI=1S/C28H28N2O3.ClHO4/c1-5-30(6-2)21-15-16-23-25(22-9-7-8-10-24(22)28(31)32)18-26(33-27(23)17-21)19-11-13-20(14-12-19)29(3)4;2-1(3,4)5/h7-18H,5-6H2,1-4H3;(H,2,3,4,5)
【InChIKey】
InChIKey=IZSVNKSOQVLCDH-UHFFFAOYSA-N
【SMILES】
CCN(CC)c1ccc2c(cc([o+]c2c1)c3ccc(cc3)N(C)C)c4ccccc4C(=O)O.[O-]Cl(=O)(=O)=O
【MOL File】
4-(2-CARBOXY-PHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-CARBOXY-PHENYL)-7-DIETHYLAMINO-2-(4-DIMETHYLAMINO-PHENYL)CHROMYLIUMPERCHLORATE.cml