AG0034ML

1075198-30-9 | N-[1-(Cyano-2-ethoxy-2-oxoethylideneaminooxy)dimethylamino(morpholino)uronium Hexafluorophosphate

AG0034ML

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CAS Number	1075198-30-9
Catalog Number	AG0034ML(AGN-PC-0OXD3J)
Chemical Name	N-[1-(Cyano-2-ethoxy-2-oxoethylideneaminooxy)dimethylamino(morpholino)uronium Hexafluorophosphate
IUPAC Name	[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate
InChI	InChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;
InChI Key	GPDHNZNLPKYHCN-DZOOLQPHSA-N
MDL Number	MFCD11975052
Molecular Formula	C12H19F6N4O4P
Molecular Weight	428.2678
SMILES	CN(C)C(O/N=C(C(OCC)=O)C#N)=[N+]1CCOCC/1.F[P-](F)(F)(F)(F)F
Synonyms	COMU, 1075198-30-9, COMU(R), 97%, C12H19N4O4.F6P, DTXSID10659200, MFCD11975052, MFCD24368564, AKOS017343301, AS-19150, SC-21574, X4851, (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dim, K-0582, J-001907, (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholinocarbenium hexafluorophosphate, (1-Cyano-2-ethoxy-2-oxoethylidene aminooxy)dimethylaminomorpholino carbenium hexafluorophosphate, (1-Cyano-2-ethoxy-2-oxoethylideneaminooxy)-dimethylamino-morpholino-carbenium hexafluorophosphate, {[(Z)-(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy}-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate, GPDHNZNLPKYHCN-DZOOLQPHSA-N, (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate, 98% - 25G 25g,

Complexity	516
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	428.105g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	428.272g/mol
Monoisotopic Mass	428.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	87.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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