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136849-72-4 | Methanaminium, N-[[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy](dimethylamino)methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS No: 136849-72-4 Catalog No: AG0012GS MDL No:MFCD00192127
Product Description
Catalog Number:
AG0012GS
Chemical Name:
Methanaminium, N-[[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy](dimethylamino)methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS Number:
136849-72-4
Molecular Formula:
C10H17BF4N4O3
Molecular Weight:
328.0716
MDL Number:
MFCD00192127
IUPAC Name:
[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium;tetrafluoroborate
InChI:
InChI=1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1
InChI Key:
FPQVGDGSRVMNMR-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCOC(=O)/C(=N/OC(=[N+](C)C)N(C)C)/C#N
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.075g/mol
Monoisotopic Mass:
328.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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