chempirical

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)

C14H20F6N3O3PCAS 208462-94-6423.30 g/mol

Open in Covalent MOL file
NO+NOONFP−FFFFF
AlkeneAmideLactamUrea

Properties

Molecular formula
C14H20F6N3O3P
Molar mass
423.30 g/mol
Exact mass
423.1146 Da
logP
3.87Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
208462-94-6
SMILES
CN(C)C(=[O+]N1C(=O)C2C3C=CC(C3)C2C1=O)N(C)C.F[P-](F)(F)(F)(F)F
InChIKey
GOTDTGXRAJEDHP-UHFFFAOYSA-N
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

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Names and synonyms

1 names
  • Methanaminium, N-[(dimethylamino)[(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)oxy]methylene]-N-methyl-, hexafluorophosphate(1-)

Work with 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)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3A,4,7,7A-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione21715-90-241 % similar 2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-73-441 % similar N-Octyl bicycloheptene dicarboximide113-48-434 % similar Dimethyl 5-norbornene-2,3-dicarboxylate5826-73-332 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-031 % similar Carbic anhydride129-64-631 % similar Himic anhydride2746-19-231 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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