934426-22-9
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE
Name2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE
1Identification
【Name】
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE
【CAS】
【MDL】
MFCD16996233
【English Synonyms】
【Formula】
C13 H17 B N2 O2
【MolWeight】
244.1
【Inchi】
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7H,16H2,1-4H3
【InChIKey】
InChIKey=JWCNIIZUTIYXTL-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C#N)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:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE.cml