1356068-36-4
2-(BENZYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-(BENZYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
pro_formulaC19 H22 B N3 O2
1Identification
【Name】
2-(BENZYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16996759
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H22 B N3 O2
【pro_molWeight】
335.213
【Inchi】
InChI=1S/C19H22BN3O2/c1-18(2)19(3,4)25-20(24-18)16-10-15(11-21)17(23-13-16)22-12-14-8-6-5-7-9-14/h5-10,13H,12H2,1-4H3,(H,22,23)
【InChIKey】
InChIKey=NDMQOKDUBYJFOT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)NCc3ccccc3)C#N
【MOL File】
2-(BENZYLAMINO)-5-(4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-(BENZYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml