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125700-73-4 | Methanaminium, N-[(dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS No: 125700-73-4 Catalog No: AG000OHW MDL No:MFCD00167753
Product Description
Catalog Number:
AG000OHW
Chemical Name:
Methanaminium, N-[(dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS Number:
125700-73-4
Molecular Formula:
C14H20BF4N3O3
Molecular Weight:
365.1315
MDL Number:
MFCD00167753
IUPAC Name:
[dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate
InChI:
InChI=1S/C14H20N3O3.BF4/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19;2-1(3,4)5/h5-6,8-11H,7H2,1-4H3;/q+1;-1
InChI Key:
DMTWWFCCBWWXSA-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CN(C(=[O+]N1C(=O)C2C(C1=O)C1CC2C=C1)N(C)C)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.136g/mol
Monoisotopic Mass:
365.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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