62669-72-1
9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMINO)XANTHYLIUM PERCHLORATE
Name9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMINO)XANTHYLIUM PERCHLORATE
FormulaC24 H23 N2 O3 . Cl O4
1Identification
【Name】
9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMINO)XANTHYLIUM PERCHLORATE
【CAS】
【MDL】
MFCD00041972
【English Synonyms】
【Formula】
C24 H23 N2 O3 . Cl O4
【MolWeight】
486.906
【Inchi】
InChI=1S/C24H22N2O3.ClHO4/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)
【InChIKey】
InChIKey=PQIPFCFHSJBFSV-UHFFFAOYSA-N
【SMILES】
CN(C)c1ccc2c(c1)oc-3cc(=[N+](C)C)ccc3c2c4ccccc4C(=O)O.[O-]Cl(=O)(=O)=O
【MOL File】
9-(2-CARBOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMINO)XANTHYLIUM PERCHLORATE.cml