CAS
--- Purity
98% min
--- Purity
98% min
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Specification
The molecular formula is C7H16BF4NO.
The molecular weight is 217.02 g/mol.
The IUPAC name is 4-ethyl-4-methylmorpholin-4-ium;tetrafluoroborate.
The InChI is InChI=1S/C7H16NO.BF4/c1-3-8(2)4-6-9-7-5-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1.
The InChIKey is ZASONNSYIVFISJ-UHFFFAOYSA-N.
The canonical SMILES is [B-](F)(F)(F)F.CC[N+]1(CCOCC1)C.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 6.
The rotatable bond count is 1.
Yes, it is a canonicalized compound.