693792-99-3
4-[(1,1,DIMETHYLETHOXY)CARBONYL](PHENYLMETHYL)AMINOPHENYLBORONIC ACID
Name4-[(1,1,DIMETHYLETHOXY)CARBONYL](PHENYLMETHYL)AMINOPHENYLBORONIC ACID
pro_formulaC18 H22 B N O4
1Identification
【Name】
4-[(1,1,DIMETHYLETHOXY)CARBONYL](PHENYLMETHYL)AMINOPHENYLBORONIC ACID
【CAS】
【MDL】
MFCD17011979
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H22 B N O4
【pro_molWeight】
327.186
【Inchi】
InChI=1S/C18H22BNO4/c1-18(2,3)24-17(21)20(13-14-7-5-4-6-8-14)16-11-9-15(10-12-16)19(22)23/h4-12,22-23H,13H2,1-3H3
【InChIKey】
InChIKey=AWCWBSNNIDOTJR-UHFFFAOYSA-N
【SMILES】
B(c1ccc(cc1)N(Cc2ccccc2)C(=O)OC(C)(C)C)(O)O
【MOL File】
4-[(1,1,DIMETHYLETHO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
4-[(1,1,DIMETHYLETHOXY)CARBONYL](PHENYLMETHYL)AMINOPHENYLBORONIC ACID.cml