1201644-37-2
1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE
Name1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE
1Identification
【Name】
1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE
【CAS】
【MDL】
MFCD16995592
【English Synonyms】
【Formula】
C17 H26 B N3 O3
【MolWeight】
331.221
【Inchi】
InChI=1S/C17H26BN3O3/c1-13(22)20-8-10-21(11-9-20)15-12-14(6-7-19-15)18-23-16(2,3)17(4,5)24-18/h6-7,12H,8-11H2,1-5H3
【InChIKey】
InChIKey=HLYJIGRSAPYOTO-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)N3CCN(CC3)C(=O)C
【MOL File】
1-(4-(4-(4,4,5,5-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZIN-1-YL)ETHANONE.cml