1257431-67-6
N-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE
NameN-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE
FormulaC13 H18 B F3 N2 O2
1Identification
【Name】
N-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE
【CAS】
【MDL】
MFCD16996753
【English Synonyms】
【Formula】
C13 H18 B F3 N2 O2
【MolWeight】
302.102
【Inchi】
InChI=1S/C13H18BF3N2O2/c1-11(2)12(3,4)21-14(20-11)8-6-9(13(15,16)17)10(18-5)19-7-8/h6-7H,1-5H3,(H,18,19)
【InChIKey】
InChIKey=MRIOLSQISBFDAP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)NC)C(F)(F)F
【MOL File】
N-METHYL-5-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE.cml