879486-21-2
[3-(1'-AMINO-4'-METHYLPIPERAZINE-1-CARBONYL)PHENYL] BORONIC ACID PINACOL ESTER
Name[3-(1'-AMINO-4'-METHYLPIPERAZINE-1-CARBONYL)PHENYL] BORONIC ACID PINACOL ESTER
1Identification
【Name】
[3-(1'-AMINO-4'-METHYLPIPERAZINE-1-CARBONYL)PHENYL] BORONIC ACID PINACOL ESTER
【CAS】
【MDL】
MFCD09266174
【English Synonyms】
【Formula】
C18 H28 B N3 O3
【MolWeight】
345.248
【Inchi】
InChI=1S/C18H28BN3O3/c1-17(2)18(3,4)25-19(24-17)15-8-6-7-14(13-15)16(23)20-22-11-9-21(5)10-12-22/h6-8,13H,9-12H2,1-5H3,(H,20,23)
【InChIKey】
InChIKey=GJKHLDXBNQNZOC-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)NN3CCN(CC3)C
【MOL File】
[3-(1'-AMINO-4'-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[3-(1'-AMINO-4'-METHYLPIPERAZINE-1-CARBONYL)PHENYL] BORONIC ACID PINACOL ESTER.cml