chempirical

O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate

C15H20F6N5OPCAS 105379-24-6431.32 g/mol

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Properties

Molecular formula
C15H20F6N5OP
Molar mass
431.32 g/mol
Exact mass
431.1310 Da
logP
4.50Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
105379-24-6
SMILES
C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
InChIKey
XKTRAGMCMJYRRN-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1

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Names and synonyms

1 names
  • (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

Work with O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)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

Pybop128625-52-557 % similar Bop reagent56602-33-650 % similar Pyaop reagent156311-83-041 % similar N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-833 % similar

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

Elsewhere

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