942069-79-6
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
NameN,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
1Identification
【Name】
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
【CAS】
【MDL】
MFCD12405390
【English Synonyms】
【Formula】
C22 H26 B N O2
【MolWeight】
347.263
【Inchi】
InChI=1S/C22H26BNO2/c1-21(2)22(3,4)26-23(25-21)19-14-18(15-20(16-19)24(5)6)13-12-17-10-8-7-9-11-17/h7-11,14-16H,1-6H3
【InChIKey】
InChIKey=FJANTBDTFIZSAT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)N(C)C)C#Cc3ccccc3
【MOL File】
N,N-DIMETHYL-3-(PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE.cml