chempirical

N,N,N',N'-Bis(tetramethylene)-O-(N-succinimidyl)uronium Hexafluorophosphate

C13H20F6N3O3PCAS 207683-26-9411.29 g/mol

Open in Covalent MOL file
NN+ONOOFP−FFFFF
AmideLactam

Properties

Molecular formula
C13H20F6N3O3P
Molar mass
411.29 g/mol
Exact mass
411.1146 Da
logP
3.71Crippen estimate
Polar surface area
52.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
207683-26-9
SMILES
C1CCN(C1)C(=[N+]2CCCC2)ON3C(=O)CCC3=O.F[P-](F)(F)(F)(F)F
InChIKey
TVWKVGNCIJUXMY-UHFFFAOYSA-N
InChI
InChI=1S/C13H20N3O3.F6P/c17-11-5-6-12(18)16(11)19-13(14-7-1-2-8-14)15-9-3-4-10-15;1-7(2,3,4,5)6/h1-10H2;/q+1;-1

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Names and synonyms

1 names
  • Dipyrrolidino(N-succinimidyloxy)carbenium hexafluorophosphate

Work with N,N,N',N'-Bis(tetramethylene)-O-(N-succinimidyl)uronium Hexafluorophosphate

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

(Dimethylamino)((2,5-dioxopyrrolidin-1-yl)oxy)-N,N-dimethylmethaniminium hexafluorophosphate265651-18-150 % similar Bis(tetramethylene)fluoroformamidinium hexafluorophosphate164298-25-349 % similar 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium hexafluorophosphate135540-11-346 % similar Chlorodipiperidinocarbenium hexafluorophosphate161308-40-345 % similar O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate105379-24-641 % similar (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate190849-64-040 % similar Disuccinimidyl glutarate79642-50-536 % similar 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate105832-38-035 % similar

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

Elsewhere

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