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CAT: 0926-FH15565-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FH15565-01Size:10 g
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CAS Number
333717-40-1
Synonyms
O-[ (Ethoxycarbonyl) cyanomethylenamino]-N, N, N', N'-tetramethyluronium hexafluorophosphate;6-Cyano-N, N,2-trimethyl-7-oxo-4,8-dioxa-2,5- diazadec-5-en-3-aminium hexafluorophosphate
MDL Number
MFCD19443492
Smiles
CCOC (=O) C (=NOC (=[N+] (C) C) N (C) C) C#N.F[P-] (F) (F) (F) (F) F
Molecular Formula
C10H17F6N4O3P
Molecular Weight
386.23 g/mol
Controlled
No

Chemical Information

6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluorophosphate
CAS Number333717-40-1
PubChem CID57348955
IUPAC Name[[(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
Molecular FormulaC10H17F6N4O3P
Molecular Weight386.23
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity435
SMILES
CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C10H17N4O3.F6P/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;1-7(2,3,4,5)6/h6H2,1-5H3;/q+1;-1
InChIKey
RKTBAMPZUATMIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Cyano-N,N,2-trimethyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-iminium hexafluorophosphate
CAS: 333717-40-1
CID: 57348955
Formula: C10H17F6N4O3P
MW: 386.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.23
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass386.09424639
Monoisotopic Mass386.09424639
Topological Polar Surface Area77.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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