1346809-48-0
2-(METHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-(METHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
1Identification
【Name】
2-(METHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16995277
【English Synonyms】
【Formula】
C13 H18 B N3 O2
【MolWeight】
259.115
【Inchi】
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)10-6-9(7-15)11(16-5)17-8-10/h6,8H,1-5H3,(H,16,17)
【InChIKey】
InChIKey=GEGXZWJZOPSEMJ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)NC)C#N
【MOL File】
2-(METHYLAMINO)-5-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLAMINO)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml