720692-76-2
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 1,2,4,5-TETRAHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
Name3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 1,2,4,5-TETRAHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 1,2,4,5-TETRAHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11044681
【English Synonyms】
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 1,2,4,5-TETRAHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
【Formula】
C21 H32 B N O4
【MolWeight】
373.298
【Inchi】
InChI=1S/C21H32BNO4/c1-19(2,3)25-18(24)23-12-10-15-8-9-17(14-16(15)11-13-23)22-26-20(4,5)21(6,7)27-22/h8-9,14H,10-13H2,1-7H3
【InChIKey】
InChIKey=LLOANUGXWMHGAZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)CCN(CC3)C(=O)OC(C)(C)C
【MOL File】
3H-3-BENZAZEPINE-3-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 1,2,4,5-TETRAHYDRO-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER.cml