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208462-94-6 | Methanaminium, (dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]dimethyl-, hexafluorophosphate(1-) (1:1)
CAS No: 208462-94-6 Catalog No: AG002JPQ MDL No:MFCD08274617
Product Description
Catalog Number:
AG002JPQ
Chemical Name:
Methanaminium, (dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]dimethyl-, hexafluorophosphate(1-) (1:1)
CAS Number:
208462-94-6
Molecular Formula:
C14H20F6N3O3P
Molecular Weight:
423.2911
MDL Number:
MFCD08274617
IUPAC Name:
[dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium;hexafluorophosphate
InChI:
InChI=1S/C14H20N3O3.F6P/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19;1-7(2,3,4,5)6/h5-6,8-11H,7H2,1-4H3;/q+1;-1
InChI Key:
GOTDTGXRAJEDHP-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CN(C(=[O+]N1C(=O)C2C(C1=O)C1CC2C=C1)N(C)C)C
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.296g/mol
Monoisotopic Mass:
423.115g/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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