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
pro_formulaC22 H26 B N O2
1Identification
【Name】
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
【CAS】
【MDL】
MFCD12405390
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H26 B N O2
【pro_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
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE.cml