840521-76-8
N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
NameN-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
1Identification
【Name】
N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
【CAS】
【MDL】
MFCD05865086
【English Synonyms】
【Formula】
C17 H27 B N2 O3
【MolWeight】
318.222
【Inchi】
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)
【InChIKey】
InChIKey=KQUHTIHQDGBEMM-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)NCCN(C)C
【MOL File】
N-(2-DIMETHYLAMINOET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-DIMETHYLAMINOETHYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE.cml