864759-42-2
N-METHYL-N-(2-PYRIDIN-2-YL-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
NameN-METHYL-N-(2-PYRIDIN-2-YL-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
pro_formulaC21 H27 B N2 O3
1Identification
【Name】
N-METHYL-N-(2-PYRIDIN-2-YL-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
【CAS】
【MDL】
MFCD08706138
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H27 B N2 O3
【pro_molWeight】
366.266
【Inchi】
InChI=1S/C21H27BN2O3/c1-20(2)21(3,4)27-22(26-20)17-11-9-16(10-12-17)19(25)24(5)15-13-18-8-6-7-14-23-18/h6-12,14H,13,15H2,1-5H3
【InChIKey】
InChIKey=SETDRDRCLKBLLI-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)N(C)CCc3ccccn3
【MOL File】
N-METHYL-N-(2-PYRIDI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-METHYL-N-(2-PYRIDIN-2-YL-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE.cml