308089-08-9
1-((DIETHYLAMINO)CARBONYL)-4-METHOXYPYRIDINIUM TETRAPHENYLBORATE(1-)
Name1-((DIETHYLAMINO)CARBONYL)-4-METHOXYPYRIDINIUM TETRAPHENYLBORATE(1-)
FormulaC24 H20 B . C11 H17 N2 O2
1Identification
【Name】
1-((DIETHYLAMINO)CARBONYL)-4-METHOXYPYRIDINIUM TETRAPHENYLBORATE(1-)
【CAS】
【MDL】
MFCD01850201
【English Synonyms】
【Formula】
C24 H20 B . C11 H17 N2 O2
【MolWeight】
528.5
【Inchi】
InChI=1S/C24H20B.C11H17N2O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-12(5-2)11(14)13-8-6-10(15-3)7-9-13/h1-20H;6-9H,4-5H2,1-3H3/q-1;+1
【InChIKey】
InChIKey=NWHIILWDTYZIBX-UHFFFAOYSA-N
【SMILES】
[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.CCN(CC)C(=O)[n+]1ccc(cc1)OC
【MOL File】
1-((DIETHYLAMINO)CAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-((DIETHYLAMINO)CARBONYL)-4-METHOXYPYRIDINIUM TETRAPHENYLBORATE(1-).cml