942070-90-8
N,N-DIMETHYL-3,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXAMIDE
NameN,N-DIMETHYL-3,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXAMIDE
1Identification
【Name】
N,N-DIMETHYL-3,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXAMIDE
【CAS】
【MDL】
MFCD12405503
【English Synonyms】
【Formula】
C18 H31 B2 N3 O5
【MolWeight】
391.081
【Inchi】
InChI=1S/C18H31B2N3O5/c1-15(2)16(3,4)26-19(25-15)12-11-13(23(21-12)14(24)22(9)10)20-27-17(5,6)18(7,8)28-20/h11H,1-10H3
【InChIKey】
InChIKey=OZBIOIOXNFXEQH-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(n(n2)C(=O)N(C)C)B3OC(C(O3)(C)C)(C)C
【MOL File】
N,N-DIMETHYL-3,5-BIS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N-DIMETHYL-3,5-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXAMIDE.cml