1204324-10-6
(2S,5S)-1-(((2S,5S)-2,5-DIMETHYLPYRROLIDIN-1-YL)METHYLENE)-2,5-DIMETHYLPYRROLIDINIUM TETRAFLUOROBORATE
Name(2S,5S)-1-(((2S,5S)-2,5-DIMETHYLPYRROLIDIN-1-YL)METHYLENE)-2,5-DIMETHYLPYRROLIDINIUM TETRAFLUOROBORATE
1Identification
【Name】
(2S,5S)-1-(((2S,5S)-2,5-DIMETHYLPYRROLIDIN-1-YL)METHYLENE)-2,5-DIMETHYLPYRROLIDINIUM TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD16876058
【English Synonyms】
【Formula】
C33 H33 N2 . B F4
【MolWeight】
544.441
【Inchi】
InChI=1S/C33H33N2.BF4/c1-5-13-26(14-6-1)30-21-22-31(27-15-7-2-8-16-27)34(30)25-35-32(28-17-9-3-10-18-28)23-24-33(35)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25,30-33H,21-24H2;/q+1;-1/t30-,31-,32-,33-;/m0./s1
【InChIKey】
InChIKey=RKLHUHRTFDXZEQ-TZVSIRDDSA-N
【SMILES】
[B-](F)(F)(F)F.c1ccc(cc1)[C@@H]2CC[C@H](N2C=[N+]3[C@@H](CC[C@H]3c4ccccc4)c5ccccc5)c6ccccc6
【MOL File】
(2S,5S)-1-(((2S,5S)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2S,5S)-1-(((2S,5S)-2,5-DIMETHYLPYRROLIDIN-1-YL)METHYLENE)-2,5-DIMETHYLPYRROLIDINIUM TETRAFLUOROBORATE.cml