545387-09-5
3-BUTYL-1,1,2-TRIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUORO PHOSPHATE
Name3-BUTYL-1,1,2-TRIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUORO PHOSPHATE
1Identification
【Name】
3-BUTYL-1,1,2-TRIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUORO PHOSPHATE
【CAS】
【MDL】
MFCD07368574
【English Synonyms】
【Formula】
C19 H24 N . F6 P
【MolWeight】
411.368
【Inchi】
InChI=1S/C19H24N.F6P/c1-5-6-13-20-14(2)19(3,4)18-16-10-8-7-9-15(16)11-12-17(18)20;1-7(2,3,4,5)6/h7-12H,5-6,13H2,1-4H3;/q+1;-1
【InChIKey】
InChIKey=MRUUCLUBQISQTG-UHFFFAOYSA-N
【SMILES】
CCCC[N+]1=C(C(c2c1ccc3c2cccc3)(C)C)C.F[P-](F)(F)(F)(F)F
【MOL File】
3-BUTYL-1,1,2-TRIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-BUTYL-1,1,2-TRIMETHYL-1H-BENZO[E]INDOLIUM HEXAFLUORO PHOSPHATE.cml