235781-92-7
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TETRAFLUOROBORATE
Name2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TETRAFLUOROBORATE
1Identification
【Name】
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD04423355
【English Synonyms】
【Formula】
C19 H25 N2 . B F4
【MolWeight】
368.224
【Inchi】
InChI=1S/C19H25N2.BF4/c1-19(2)16-12-9-10-13-17(16)21(5)18(19)14-8-6-7-11-15-20(3)4;2-1(3,4)5/h6-15H,1-5H3;/q+1;-1
【InChIKey】
InChIKey=NRLLJSDEQYBGQN-UHFFFAOYSA-N
【SMILES】
[B-](F)(F)(F)F.CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/N(C)C)C)C
【MOL File】
2-[(1E,3E,5E)-6-(DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(1E,3E,5E)-6-(DIMETHYLAMINO)HEXA-1,3,5-TRIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM TETRAFLUOROBORATE.cml