850411-05-1
[1,4]DIAZEPAN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
Name[1,4]DIAZEPAN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
1Identification
【Name】
[1,4]DIAZEPAN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE
【CAS】
【MDL】
MFCD06657705
【English Synonyms】
【Formula】
C18 H27 B N2 O3
【MolWeight】
330.233
【Inchi】
InChI=1S/C18H27BN2O3/c1-17(2)18(3,4)24-19(23-17)15-8-6-14(7-9-15)16(22)21-12-5-10-20-11-13-21/h6-9,20H,5,10-13H2,1-4H3
【InChIKey】
InChIKey=STEXODMUTIVWCN-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)N3CCCNCC3
【MOL File】
[1,4]DIAZEPAN-1-YL-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
[1,4]DIAZEPAN-1-YL-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENYL]-METHANONE.cml