111068-14-5
10-DIETHYLAMINO-3-METHOXY-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
Name10-DIETHYLAMINO-3-METHOXY-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
FormulaC22 H24 N O2 . Cl O4
1Identification
【Name】
10-DIETHYLAMINO-3-METHOXY-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
【CAS】
【MDL】
MFCD00799323
【English Synonyms】
【Formula】
C22 H24 N O2 . Cl O4
【MolWeight】
433.886
【Inchi】
InChI=1S/C22H24NO2.ClHO4/c1-4-23(5-2)18-9-8-16-12-17-7-6-15-13-19(24-3)10-11-20(15)22(17)25-21(16)14-18;2-1(3,4)5/h8-14H,4-7H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=CTWWFGAODAVLEP-UHFFFAOYSA-M
【SMILES】
CCN(CC)c1ccc2cc3c([o+]c2c1)-c4ccc(cc4CC3)OC.[O-]Cl(=O)(=O)=O
【MOL File】
10-DIETHYLAMINO-3-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10-DIETHYLAMINO-3-METHOXY-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE.cml