864759-43-3
N-ETHYL-N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
NameN-ETHYL-N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
1Identification
【Name】
N-ETHYL-N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
【CAS】
【MDL】
MFCD08706139
【English Synonyms】
【Formula】
C21 H27 B N2 O3
【MolWeight】
366.266
【Inchi】
InChI=1S/C21H27BN2O3/c1-6-24(15-16-11-13-23-14-12-16)19(25)17-7-9-18(10-8-17)22-26-20(2,3)21(4,5)27-22/h7-14H,6,15H2,1-5H3
【InChIKey】
InChIKey=FETCIMGEIJVGDZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)N(CC)Cc3ccncc3
【MOL File】
N-ETHYL-N-PYRIDIN-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-ETHYL-N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE.cml