945599-51-9
4-[[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]OXY]-BENZENAMINE
Name4-[[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]OXY]-BENZENAMINE
1Identification
【Name】
4-[[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]OXY]-BENZENAMINE
【CAS】
【MDL】
MFCD13191370
【English Synonyms】
【Formula】
C17 H21 B N2 O3
【MolWeight】
312.175
【Inchi】
InChI=1S/C17H21BN2O3/c1-16(2)17(3,4)23-18(22-16)14-6-5-11-20-15(14)21-13-9-7-12(19)8-10-13/h5-11H,19H2,1-4H3
【InChIKey】
InChIKey=YRBFHYYPKUBTIH-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccnc2Oc3ccc(cc3)N
【MOL File】
4-[[3-(4,4,5,5-TETRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-PYRIDINYL]OXY]-BENZENAMINE.cml