947249-44-7
METHYL 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINATE
NameMETHYL 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINATE
pro_formulaC13 H19 B N2 O4
1Identification
【Name】
METHYL 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINATE
【CAS】
【MDL】
MFCD12923412
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H19 B N2 O4
【pro_molWeight】
278.114
【Inchi】
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)8-6-9(11(17)18-5)10(15)16-7-8/h6-7H,1-5H3,(H2,15,16)
【InChIKey】
InChIKey=CCGFBYOYKYWINY-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)N)C(=O)OC
【MOL File】
METHYL 2-AMINO-5-(4,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
METHYL 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINATE.cml