1190759-45-5
N-[(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)]METHYLMORPHININE
NameN-[(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)]METHYLMORPHININE
1Identification
【Name】
N-[(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)]METHYLMORPHININE
【CAS】
【MDL】
MFCD17018677
【English Synonyms】
【Formula】
C28 H33 B N2 O5
【MolWeight】
488.389
【Inchi】
InChI=1S/C28H33BN2O5/c1-26(2)27(3,4)36-29(35-26)18-11-16(13-30-14-18)15-31-10-9-28-19-6-8-22(33)25(28)34-24-21(32)7-5-17(23(24)28)12-20(19)31/h5-8,11,13-14,19-20,22,25,32-33H,9-10,12,15H2,1-4H3/t19-,20+,22-,25-,28-/m0/s1
【InChIKey】
InChIKey=ZQUQXLVOISBVKB-DHMIPJFHSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cnc2)CN3CC[C@]45c6c7ccc(c6O[C@H]4[C@H](C=C[C@H]5[C@H]3C7)O)O
【MOL File】
N-[(5-(4,4,5,5-TETRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-[(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)]METHYLMORPHININE.cml