1246372-66-6
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
1Identification
【Name】
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16995200
【English Synonyms】
【Formula】
C12 H16 B N3 O2
【MolWeight】
245.088
【Inchi】
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-8(6-14)10(15)16-7-9/h5,7H,1-4H3,(H2,15,16)
【InChIKey】
InChIKey=KRNXYPYYVHFVQS-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N)C#N
【MOL File】
2-AMINO-5-(4,4,5,5-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml