1356068-62-6
2-MORPHOLINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-MORPHOLINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
pro_formulaC16 H22 B N3 O3
1Identification
【Name】
2-MORPHOLINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16996767
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H22 B N3 O3
【pro_molWeight】
315.179
【Inchi】
InChI=1S/C16H22BN3O3/c1-15(2)16(3,4)23-17(22-15)13-9-12(10-18)14(19-11-13)20-5-7-21-8-6-20/h9,11H,5-8H2,1-4H3
【InChIKey】
InChIKey=KMOMTJKORSQJNI-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N3CCOCC3)C#N
【MOL File】
2-MORPHOLINO-5-(4,4,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
2-MORPHOLINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml